1-nitroso-3,6-dihydro-2H-pyridine

1-nitroso-3,6-dihydro-2H-pyridine 基本信息
CAS号 55556-92-8 分子式 C5H8N2O
分子量 112.13000 精确质量  112.06400
PSA  32.67000 LogP  0.86760

基本信息 展开↓

CAS号:
55556-92-8
3D弹球模型:
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分子式:
C5H8N2O
分子量:
112.13000
英文名称:
1-nitroso-3,6-dihydro-2H-pyridine
英文别名:
1-nitroso-3,6-dihydro-2H-pyridine;
Nitroso-1,2,3,6-tetrahydropyridine;
N-Nitroso-1,2,3,6-tetrahydropyridin;
1-Nitroso-1,2,3,6-tetrahydropyridine;
N-Nitroso-1,2,3,6-tetrahydropyridine;
3,4-Dehydro-1-nitrosopiperidin;
PYRIDINE,1,2,3,6-TETRAHYDRO-1-NITROSO;
1,2,3,6-Tetrahydro-1-nitrosopyridine
精确分子量/精确质量:
112.06400
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: KIUHZRUPPGAVPY-UHFFFAOYSA-N

物化性质展开↓

密度:
1.15g/cm3
沸点:
233.9ºC at 760 mmHg
闪点:
95.3ºC
折射率:
1.55

合成路线查看所有的合成路线

  • 694-05-3

    1,2,3,6-四氢吡啶

  • ~46%

  • 55556-92-8

    1-nitroso-3,6-dihydro-2H-pyridine

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT8408000
CHEMICAL NAME :
Pyridine, 1,2,3,6-tetrahydro-1-nitroso-
CAS REGISTRY NUMBER :
55556-92-8
BEILSTEIN REFERENCE NO. :
1616955
LAST UPDATED :
199612
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C5-H8-N2-O
MOLECULAR WEIGHT :
112.15
WISWESSER LINE NOTATION :
T6N CUTJ ANO

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
33 mg/kg/25W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Endocrine - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1040 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors

MUTATION DATA

TEST SYSTEM :
Insect - Drosophila melanogaster
DOSE/DURATION :
10 mmol/L/24H
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 67,27,1979

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