3-[2-cyanoethyl(methyl)amino]propanenitrile

3-[2-cyanoethyl(methyl)amino]propanenitrile 基本信息
CAS号 1555-58-4 分子式 C7H11N3
分子量 137.18200 精确质量  137.09500
PSA  50.82000 LogP  0.74556

基本信息 展开↓

CAS号:
1555-58-4
3D弹球模型:
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分子式:
C7H11N3
分子量:
137.18200
英文名称:
3-[2-cyanoethyl(methyl)amino]propanenitrile
英文别名:
3-[2-cyanoethyl(methyl)amino]propanenitrile;
N-2-cyanoethyl-N-methyl-2-cyanoethanamine;
Propionitrile,3,3'-(methylimino)di;
Di(2-cianoetil)metilammina [Italian];
N-Methyl-3,3'-iminodipropionitrile;
3,3'-(methylimino)bispropiononitrile;
Bis-(2-cyan-aethyl)-methyl-amin;
Propanenitrile,3,3'-(methylimino)bis;
Bis(2-cyanoethyl)methylamine;
N-Methyl-bis(2-cyanethyl)amin;
EINECS 216-305-9;
3,3'-methylimino-di-propionitrile;
3,3'-Methylimino-di-propionitril
精确分子量/精确质量:
137.09500
极性分子表面积/PSA:
50.82000
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: NPMCIHCQSNHBDX-UHFFFAOYSA-N

物化性质展开↓

密度:
0.993g/cm3
沸点:
326.9ºC at 760mmHg
闪点:
151.4ºC
折射率:
1.462
蒸汽压:
0.000209mmHg at 25°C

安全信息展开↓

海关代码:
2926909090

合成路线查看所有的合成路线

  • 67-56-1

    甲醇

  • +

  • 107-13-1

    丙烯腈

  • +

  • 74-89-5

    甲胺

  • 1555-58-4

    3-[2-cyanoethyl(methyl)amino]propanenitrile

  • 50-00-0

    甲醛

  • +

  • 64-18-6

    Formic acid

  • +

  • 111-94-4

    双(2-氰基乙基)胺

  • 1555-58-4

    3-[2-cyanoethyl(methyl)amino]propanenitrile

  • 2658-41-5

    2658-41-5

  • 1555-58-4

    3-[2-cyanoethyl(methyl)amino]propanenitrile

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UG3675000
CHEMICAL NAME :
Propionitrile, 3,3'-(methylimino)di-
CAS REGISTRY NUMBER :
1555-58-4
BEILSTEIN REFERENCE NO. :
1747067
LAST UPDATED :
199806
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C7-H11-N3
MOLECULAR WEIGHT :
137.21
WISWESSER LINE NOTATION :
NC2N1&2CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,924,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,924,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
890 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 17,753,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
800 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954

海关数据查看详细

中国海关编码:2926909090

概述:
2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 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
摘要/Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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