2-Propanone, 1-(methylnitrosoamino)- (9CI)

2-Propanone, 1-(methylnitrosoamino)- (9CI) 基本信息
CAS号 55984-51-5 分子式 C4H8N2O2
分子量 116.11900 精确质量 　116.05900
PSA 　49.74000 LogP 　0.18860
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
55984-51-5
3D弹球模型：
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分子式：
C4H8N2O2
分子量：
116.11900
中文名称：
2-Propanone, 1-(methylnitrosoamino)- (9CI)
英文名称：
N-methyl-N-(2-oxopropyl)nitrous amide
中文别名：
2-Propanone, 1-(methylnitrosoamino)- (9CI)
英文别名：
N-methyl-N-(2-oxopropyl)nitrous amide;
N-Nitrosomethyl-2-oxopropylamine;
methyl-2-oxopropylnitrosamine;
N0nitrosomethyl-N-2-oxopropylamine;
N-nitrosomethyl-N-2-oxopropylamine
精确分子量/精确质量：
116.05900
极性分子表面积/PSA：
49.74000
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: CWULQTRBZMJZEG-UHFFFAOYSA-N

物化性质展开↓

密度：
1.1g/cm3
沸点：
241.1ºC at 760mmHg
闪点：
99.6ºC
折射率：
1.47

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    2-Propanone, 1-(methylnitrosoamino)- (9CI)

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    丙酮腈

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    2-Propanone, 1-(methylnitrosoamino)- (9CI)

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UC3082500
CHEMICAL NAME :
2-Propanone, 1-(methylnitrosoamino)-
CAS REGISTRY NUMBER :
55984-51-5
LAST UPDATED :
199707
DATA ITEMS CITED :
22
MOLECULAR FORMULA :
C4-H8-N2-O2
MOLECULAR WEIGHT :
116.14
WISWESSER LINE NOTATION :
ONN1&1V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
35400 ug/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 :
256 mg/kg/22W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
600 mg/kg/30W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
176 mg/kg/2ZW-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
68 mg/kg/39W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Sense Organs and Special Senses (Olfaction) - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
94 mg/kg/27W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Sense Organs and Special Senses (Olfaction) - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 mg/kg/8W-I
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 :
375 mg/kg/30W-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 :
523 mg/kg/23W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors Liver - angiosarcoma
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
290 mg/kg/20W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - angiosarcoma
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
36050 ug/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
300 mg/kg/30W-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 - hamster
DOSE/DURATION :
223 mg/kg/22W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
TYPE OF TEST :
DNA damage
TYPE OF TEST :
DNA damage

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
200 umol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 40,3463,1980

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