N-戊基-N-甲基亚硝胺
- 中文名称：
- N-戊基-N-甲基亚硝胺
- 中文别名：
- N-戊基-N-甲基亚硝胺
- 英文名称：
- 1-Pentanamine,N-methyl-N-nitroso-
- 英文别名：
- N-Amyl-N-methylnitrosamine;
N-methyl-N-pentylnitrous amide
- CAS No.：
- 13256-07-0
- 分 子 式：
-
C6H14N2O
- 分 子 量：
- 130.22
- 精确分子量：
- 130.11100
- PSA：
- 32.67000
- InChI：
- The Key: KSFCDINBDBFFSI-UHFFFAOYSA-N3
- 安全术语：
- Poison by ingestion, subcutaneous, and intraperitoneal routes. Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic NOx. See also NITROSAMINES and N-NITROSO COMPOUNDS.
- 分子结构式：
-
- SDS：
- 查看
N-戊基-N-甲基亚硝胺 物化性质
- 外观与性状：
- 黄色粘性液体
- 密度：
- 0.93 g/cm3
- 沸点：
- 213ºC at 760 mmHg
- 闪点：
- 82.6ºC
- 折射率：
- 1.451
- 蒸汽压：
- 0.244mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥
N-戊基-N-甲基亚硝胺 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SC1225000
- CHEMICAL NAME :
- Pentylamine, N-methyl-N-nitroso-
- CAS REGISTRY NUMBER :
- 13256-07-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 21
- MOLECULAR FORMULA :
- C6-H14-N2-O
- MOLECULAR WEIGHT :
- 130.22
- WISWESSER LINE NOTATION :
- ONN5&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 :
- 120 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 85 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 120 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 168 mg/kg/8W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Gastrointestinal - tumors
Blood - lymphoma, including Hodgkin's disease
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Gastrointestinal - colon tumors
Lungs, Thorax, or Respiration - bronchiogenic carcinoma
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 240 mg/kg/40W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
Gastrointestinal - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 75 mg/kg/3W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Sense Organs and Special Senses (Olfaction) - tumors
Gastrointestinal - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - hamster
- DOSE/DURATION :
- 1144 mg/kg/23W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Sense Organs and Special Senses (Olfaction) - tumors
Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 330 mg/kg/31W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 384 mg/kg/32W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 310 mg/kg/31W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 192 mg/kg/90D-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Gastrointestinal - colon tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Sense Organs and Special Senses (Olfaction) - tumors
Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 168 mg/kg/8W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 252 mg/kg/12W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Gastrointestinal - tumors
- TYPE OF TEST :
- Micronucleus test
MUTATION DATA
- TEST SYSTEM :
- Rodent - rat
- DOSE/DURATION :
- 65 mg/kg
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year:
48,5482,1988
N-戊基-N-甲基亚硝胺 海关数据
中国海关编码：2928000090
- 概述：
- 2928000090 其他肼（联氨）及胲（羟胺）的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:20.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
N-戊基-N-甲基亚硝胺 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）:2
2.氢键供体数量:0
3.氢键受体数量:3
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积:32.7
7.重原子数量:9
8.表面电荷:0
9.复杂度:75.5
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
