5-羟基色胺; 3-(2-氨基乙基)吲哚-5-醇
- 中文名称：
- 5-羟基色胺; 3-(2-氨基乙基)吲哚-5-醇
- 中文别名：
- 5-羟基色胺;
3-(2-氨基乙基)吲哚-5-醇;
脑激胺
- 英文名称：
- 1H-Indol-5-ol,3-(2-aminoethyl)-
- 英文别名：
- serotonin;
5-Hydroxytryptamine;
Enteramine;
Thrombotonin;
Antemovis;
Antemoqua;
3-(2-aminoethyl)-1H-indol-5-ol;
5-HT;
3-(2-Aminoethyl)-5-hydroxyindole;
Serotonine
- CAS No.：
- 50-67-9
- 分 子 式：
-
C10H12N2O
- 分 子 量：
- 176.21
- 精确分子量：
- 176.09500
- PSA：
- 62.04000
- EINECS：
- 200-058-9
- InChI：
- InChI=1/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H23
- 风险术语：
- R20/21/22
- 安全术语：
- S22S45
- 分子结构式：
-
- SDS：
- 查看
5-羟基色胺; 3-(2-氨基乙基)吲哚-5-醇 物化性质
- 密度：
- 1.011 g/mL at 25 °C(lit.)
- 熔点：
- 22-23 °C(lit.)
- 沸点：
- 211-212 °C(lit.)
- 闪点：
- 205 °F
- 水溶解性：
- 0.5 g/100 mL (25 ºC)
- 折射率：
- n20/D 1.538(lit.)
- 存储条件/存储方法：
- 库房通风低温干燥
- 其它信息：
1. 性状：不确定
2. 密度（g/mL,25/4℃）：不确定
3. 相对蒸汽密度（g/mL,空气=1）：不确定
4. 熔点（ºC）：不确定
5. 沸点（ºC,常压）：不确定
6. 沸点（ºC,5.2kPa）：不确定
7. 折射率：不确定
8. 闪点（ºC）：不确定
9. 比旋光度（º）：不确定
10. 自燃点或引燃温度（ºC）：不确定
11. 蒸气压（kPa,25ºC）：不确定
12. 饱和蒸气压（kPa,60ºC）：不确定
13. 燃烧热（KJ/mol）：不确定
14. 临界温度（ºC）：不确定
15. 临界压力（KPa）：不确定
16. 油水（辛醇/水）分配系数的对数值：不确定
17. 爆炸上限（%,V/V）：不确定
18. 爆炸下限（%,V/V）：不确定
19. 溶解性：不确定
5-羟基色胺; 3-(2-氨基乙基)吲哚-5-醇 安全信息
- 包装等级：
- II
- 风险类别：
- 6.1
- 海关代码：
- 29071400
- WGK_Germany：
- 3
德国有关水污染物质的分类清单
- 危险类别码：
- R24/25:Toxic in contact with skin and if swallowed .R34:Causes burns.R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation
- 安全说明：
- S26-S36/37/39-S45-S61-S36/37-S16-S7
- RTECS号：
- ZE5600000
- 危险标志：
- T,N,F
5-羟基色胺; 3-(2-氨基乙基)吲哚-5-醇 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NM2450000
- CHEMICAL NAME :
- Indol-5-ol, 3-(2-aminoethyl)-
- CAS REGISTRY NUMBER :
- 50-67-9
- BEILSTEIN REFERENCE NO. :
- 0143524
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 27
- MOLECULAR FORMULA :
- C10-H12-N2-O
- MOLECULAR WEIGHT :
- 176.24
- WISWESSER LINE NOTATION :
- T56 BMJ D2Z GQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 285 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3,
1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year:
2,17,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 30 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3,
1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year:
2,17,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 60 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MZUZA8 Meditsinskii Zhurnal Uzbekistana. (V/O Mezhdunarodnaya Kniga, 113095
Moscow, USSR) No.1- 1957- Volume(issue)/page/year: (3),61,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IJPPAZ Indian Journal of Physiology and Pharmacology. (All India Institute
of Medical Sciences, Dept. of Physiology, Ansari Nagar, New Delhi 110 029,
India) V.1- 1957- Volume(issue)/page/year: 17,31,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 601 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - ataxia
Gastrointestinal - hypermotility, diarrhea
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see
PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2-
1939- Volume(issue)/page/year: 26,10,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 81 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see
PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2-
1939- Volume(issue)/page/year: 26,10,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 112,319,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca
Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 8(1),122,1982
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 5 mg/kg
- TOXIC EFFECTS :
- Cardiac - other changes
Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see
PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2-
1939- Volume(issue)/page/year: 26,10,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 12800 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
1898- Volume(issue)/page/year: 168,373,1967
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 10 mg/kg
- SEX/DURATION :
- female 12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Specific Developmental Abnormalities - other developmental
abnormalities
- REFERENCE :
- FKGCAR Fortschritte der Kiefer-und Gesichts-Chirurgie. (Georg Thieme
Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1955-
Volume(issue)/page/year: 21,226,1976
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 10 mg/kg
- SEX/DURATION :
- female 18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
(e.g., placenta, umbilical cord)
Reproductive - Effects on Embryo or Fetus - fetal death
- REFERENCE :
- ARPAAQ Archives of Pathology. (Chicago, IL) V.5(3)-50(3), 1928-50;
V.70-99, 1960-75. For publisher information, see APLMAS.
Volume(issue)/page/year: 81,257,1966
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 20 mg/kg
- SEX/DURATION :
- female 6 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
before birth)
- REFERENCE :
- ANREAK Anatomical Record. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY
10003) V.1- 1906/08- Volume(issue)/page/year: 196,71A,1980
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 110 mg/kg
- SEX/DURATION :
- female 1-22 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System
Reproductive - Specific Developmental Abnormalities - eye/ear
Reproductive - Specific Developmental Abnormalities - body wall
- REFERENCE :
- JOPDAB Journal of Pediatrics. (C.V. Mosby Co., 11830 Westline Industrial
Dr., St. Louis, MO 63141) V.1- 1932- Volume(issue)/page/year:
63,394,1963
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 110 mg/kg
- SEX/DURATION :
- female 1-22 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Effects on Newborn - live birth index (measured after birth)
- REFERENCE :
- JOPDAB Journal of Pediatrics. (C.V. Mosby Co., 11830 Westline Industrial
Dr., St. Louis, MO 63141) V.1- 1932- Volume(issue)/page/year:
63,394,1963
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 10 mg/kg
- SEX/DURATION :
- female 13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Effects on Embryo or Fetus - fetal death
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 25,626,1975
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 100 mg/kg
- SEX/DURATION :
- male 5 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct
Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
accessory glands
- REFERENCE :
- ENDOAO Endocrinology (Baltimore). (Williams & Wilkins Co., 428 E. Preston
St., Baltimore, MD 21203) V.1- 1917- Volume(issue)/page/year:
71,827,1962
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 240 mg/kg
- SEX/DURATION :
- female 1-6 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
- REFERENCE :
- JOENAK Journal of Endocrinology. (Biochemical Soc. Book Depot, POB 32,
Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1939-
Volume(issue)/page/year: 26,85,1963
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 320 mg/kg
- SEX/DURATION :
- female 14 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - abortion
- REFERENCE :
- JOENAK Journal of Endocrinology. (Biochemical Soc. Book Depot, POB 32,
Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1939-
Volume(issue)/page/year: 26,85,1963
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 10 mg/kg
- SEX/DURATION :
- female 7-12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
before birth)
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc.,
2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961-
Volume(issue)/page/year: 58,406,1969
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 10 mg/kg
- SEX/DURATION :
- female 11 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - urogenital system
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc.,
2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961-
Volume(issue)/page/year: 58,406,1969
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 1 mg/kg
- SEX/DURATION :
- female 8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - body wall
Reproductive - Specific Developmental Abnormalities - Central Nervous System
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc.,
2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961-
Volume(issue)/page/year: 58,406,1969
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 240 mg/kg
- SEX/DURATION :
- female 11-16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
- REFERENCE :
- SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H
St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year:
131,1101,1960
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- DOSE :
- 10 mg/kg
- SEX/DURATION :
- female 7-12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
- REFERENCE :
- JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc.,
2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961-
Volume(issue)/page/year: 58,406,1969
*** REVIEWS ***
TOXICOLOGY REVIEW
ARVPAX Annual Review of Pharmacology. (Palo Alto, CA) V.1-15, 1961-75. For
publisher information, see ARPTDI. Volume(issue)/page/year: 5,447,1965
TOXICOLOGY REVIEW
PRSMA4 Proceedings of the Royal Society of Medicine. (New York, NY) V.1-70,
1907-77. For publisher information, see JRSMD9. Volume(issue)/page/year:
62,317,1969
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - X6095
No. of Facilities: 7 (estimated)
No. of Industries: 1
No. of Occupations: 1
No. of Employees: 202 (estimated)
No. of Female Employees: 195 (estimated)
5-羟基色胺; 3-(2-氨基乙基)吲哚-5-醇 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：53.49
2、 摩尔体积（cm3/mol）：136.7
3、 等张比容（90.2K）：391.3
4、 表面张力（dyne/cm）：66.9
5、 极化率（10-24cm3）：21.20
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:3
3.氢键受体数量:2
4.可旋转化学键数量:2
5.互变异构体数量:9
6.拓扑分子极性表面积62
7.重原子数量:13
8.表面电荷:0
9.复杂度:174
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
5-羟基色胺; 3-(2-氨基乙基)吲哚-5-醇 上游产品
5-羟基色胺; 3-(2-氨基乙基)吲哚-5-醇 下游产品
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