戊诺酰胺; 2-乙基-3-甲基戊酰胺
- 中文名称：
- 戊诺酰胺; 2-乙基-3-甲基戊酰胺
- 中文别名：
- 戊诺酰胺;
戊诺酰胺 2-乙基-3-甲基戊酰胺
- 英文名称：
- Pentanamide,2-ethyl-3-methyl-
- 英文别名：
- 2-ethyl-3-methyl-pentanamide Axiquel Nirvanil;
2-ethyl-3-methylpentanamide;
Valnoctamide
- CAS No.：
- 4171-13-5
- 分 子 式：
-
C8H17NO
- 分 子 量：
- 143.23
- 精确分子量：
- 143.13100
- PSA：
- 43.09000
- EINECS：
- 224-033-7
- InChI：
- The Key: QRCJOCOSPZMDJY-UHFFFAOYSA-N3
- 风险术语：
- 22
- 分子结构式：
-
- SDS：
- 查看
戊诺酰胺; 2-乙基-3-甲基戊酰胺 物化性质
- 密度：
- 0.883g/cm3
- 熔点：
- 113.5-114ºC
- 沸点：
- 274.4ºC at 760mmHg
- 闪点：
- 119.8ºC
- 折射率：
- 1.438
戊诺酰胺; 2-乙基-3-甲基戊酰胺 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YV5950000
- CHEMICAL NAME :
- Valeramide, 2-ethyl-3-methyl-
- CAS REGISTRY NUMBER :
- 4171-13-5
- BEILSTEIN REFERENCE NO. :
- 1749434
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C8-H17-N-O
- MOLECULAR WEIGHT :
- 143.26
- WISWESSER LINE NOTATION :
- ZVY2&Y2&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 760 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,429,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 580 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,429,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 999 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon
Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year:
62,404,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 540 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,429,1972
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 700 mg/kg
- SEX/DURATION :
- female 6-12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - abortion
- REFERENCE :
- CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849-
Volume(issue)/page/year: 159,6,1965
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 600 mg/kg
- SEX/DURATION :
- female 6-8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
- REFERENCE :
- CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849-
Volume(issue)/page/year: 159,6,1965
戊诺酰胺; 2-乙基-3-甲基戊酰胺 海关数据
中国海关编码：2924199090
- 概述：
- 2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途, 包装
- 摘要/Summary：
- 2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
戊诺酰胺; 2-乙基-3-甲基戊酰胺 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:1.9
2.氢键供体数量:1
3.氢键受体数量:1
4.可旋转化学键数量:4
5.互变异构体数量:3
6.拓扑分子极性表面积:43.1
7.重原子数量:10
8.表面电荷:0
9.复杂度:112
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:2
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
推荐供应商
山东默派生物科技有限公司
戊诺酰胺
- 联系人：谭经理
- 电 话：13053322091
- 手 机：13053322091
- Cas号：4171-13-5
- 包装：1kg
- 纯度：99%
- 价格：洽谈
