2-tert-butyl-1-cyano-3-pyridin-3-ylguanidine

2-tert-butyl-1-cyano-3-pyridin-3-ylguanidine 基本信息
CAS号 60559-94-6 分子式 C11H15N5
分子量 217.27000 精确质量  217.13300
PSA  73.10000 LogP  2.18258

基本信息 展开↓

CAS号:
60559-94-6
3D弹球模型:
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分子式:
C11H15N5
分子量:
217.27000
英文名称:
2-tert-butyl-1-cyano-3-pyridin-3-ylguanidine
英文别名:
2-tert-butyl-1-cyano-3-pyridin-3-ylguanidine;
C11H15N5;
P 1060;
N-tert-butyl-N"-cyano-N'-3-pyridylguanidine
精确分子量/精确质量:
217.13300
极性分子表面积/PSA:
73.10000
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: TXXOFXVEUPZZHB-UHFFFAOYSA-N

物化性质展开↓

密度:
1.08g/cm3
沸点:
332.8ºC at 760 mmHg
闪点:
155.1ºC
折射率:
1.562

合成路线查看所有的合成路线

  • 420-04-2

    单氰胺

  • +

  • 60572-83-0

    60572-83-0

  • 60559-94-6

    2-tert-butyl-1-cyano-3-pyridin-3-ylguanidine

  • 15268-31-2

    3-异氰酸吡啶

  • 60559-94-6

    2-tert-butyl-1-cyano-3-pyridin-3-ylguanidine

  • 60572-68-1

    N-t-butyl-N'-(3-pyridyl)urea

  • 60559-94-6

    2-tert-butyl-1-cyano-3-pyridin-3-ylguanidine

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ME8945000
CHEMICAL NAME :
Guanidine, 1-tert-butyl-2-cyano-3-(3-pyridyl)-
CAS REGISTRY NUMBER :
60559-94-6
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H15-N5
MOLECULAR WEIGHT :
217.31
WISWESSER LINE NOTATION :
T6NJ CMYUNCN&MX1&1&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 :
278 mg/kg
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,773,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,773,1978

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    单氰胺

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