甲基乙烯基亚硝胺

甲基乙烯基亚硝胺 基本信息
CAS号 4549-40-0 分子式 C3H6N2O
分子量 86.09250 精确质量 　86.04800
PSA 　32.67000 LogP 　0.74310
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
4549-40-0
3D弹球模型：
立即前往扯扯看
分子式：
C3H6N2O
分子量：
86.09250
中文名称：
甲基乙烯基亚硝胺
英文名称：
N-ethenyl-N-methylnitrous amide
中文别名：
甲基乙烯基亚硝胺
英文别名：
N-ethenyl-N-methylnitrous amide;
N-Methyl-N-nitrosovinylamine;
Ethenamine,N-methyl-N-nitroso;
N-Nitroso-vinyl-methylamin;
Vinylamine,N-methyl-N-nitroso;
MVNA;
N-Nitroso-N-methylvinylamine;
NMVA;
Methylvinylnitrosamine;
N-Nitroso-methylvinylamin;
Methylvinylnitrosamin;
Methylvinylnitrosoamine;
N-NITROSOMETHYLVINYLAMINE
精确分子量/精确质量：
86.04800
极性分子表面积/PSA：
32.67000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: AWZVYNHQGTZJIH-UHFFFAOYSA-N

物化性质展开↓

密度：
0.94g/cm3
沸点：
151.6ºC at 760mmHg
闪点：
45.5ºC
折射率：
1.436

安全信息展开↓

包装等级：
II
风险类别：
6.1(a)
海关代码：
2928000090

合成路线查看所有的合成路线

  • 26921-68-6

    N-(2-hydroxyethyl)-N-methylnitrous amide

  • →

  • 50-00-0

    甲醛

  • +

  • 62-75-9

    N-亚硝基二甲胺

  • 1116-54-7

    二乙醇亚硝胺

  • →

  • 59-89-2

    N-亚硝基吗啉

  • +

  • 62-75-9

    N-亚硝基二甲胺

  • +

  • 26921-68-6

    N-(2-hydroxyethyl)-N-methylnitrous amide

  • +

  • 4549-40-0

    甲基乙烯基亚硝胺

  • +

  • 70501-88-1

    2-hydroxyethylvinylnitrosamine

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YZ0875000
CHEMICAL NAME :
Vinylamine, N-methyl-N-nitroso-
CAS REGISTRY NUMBER :
4549-40-0
LAST UPDATED :
199612
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C3-H6-N2-O
MOLECULAR WEIGHT :
86.11
WISWESSER LINE NOTATION :
ONN1&1U1

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 :
24 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 69,103,1967
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
22 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 69,103,1967 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
110 mg/kg/52W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,1077,1969
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2700 ug/kg/30M/33W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors
REFERENCE :
ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 69,103,1967
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg/50D
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,1077,1969
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
44 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors
REFERENCE :
ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 66,1,1964 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 17,257,1978 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 17,257,1978 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-FRANCE;Carcinogen JAN 1993

海关数据查看详细

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%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:0.7

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:1

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:6

8.表面电荷:0

9.复杂度:61.8

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

上下游相关产品

上游产品

更多

  • 1116-54-7

    二乙醇亚硝胺

  • 26921-68-6

    N-(2-hydroxyethyl)-N-methylnitrous amide

下游产品

更多

  • 65986-79-0

    1-[methyl(nitroso)amino]ethyl acetate

  • 61738-05-4

    N-(1-methoxyethyl)-N-methylnitrous amide

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP