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61445-55-4生产厂家

61445-55-4价格

61445-55-4

61445-55-4结构式
61445-55-4结构式

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中文名 N-亚硝基-N-甲基-4-氨基丁酸
英文名 4-[methyl(nitroso)amino]butanoic acid
英文别名 N-Methyl-N-(3-carboxypropyl)nitrosamine
N-Nitrosomethyl-3-carboxypropylamine
Nitrosomethyl-3-carboxypropylamine
4-(N-Nitroso-N-methylamino)butyric acid
N-nitrosomethylaminobutyric acid
N-NITROSO-N-METHYL-4-AMINOBUTYRIC ACID
BUTYRIC ACID,4-(METHYLNITROSOAMINO)
N-Nitroso-N-Methyl-4-Aminobutyric Acid
密度 1.22g/cm3
沸点 364ºC at 760 mmHg
分子式 C5H10N2O3
分子量 146.14400
闪点 173.9ºC
精确质量 146.06900
PSA 69.97000
LogP 0.46440
外观性状 NA
折射率 1.497
储存条件 2-8℃
稳定性

1. 存在于烟叶中。

分子结构

1、 摩尔折射率:34.96

2、 摩尔体积(cm3/mol):119.3

3、 等张比容(90.2K):310.7

4、 表面张力(dyne/cm):45.9

5、 极化率(10-24cm3):13.86

计算化学

1.疏水参数计算参考值(XlogP):0

2.氢键供体数量:1

3.氢键受体数量:5

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积70

7.重原子数量:10

8.表面电荷:0

9.复杂度:126

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET5708000
CHEMICAL NAME :
Butyric acid, 4-(methylnitrosoamino)-
CAS REGISTRY NUMBER :
61445-55-4
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C5-H10-N2-O3
MOLECULAR WEIGHT :
146.17
WISWESSER LINE NOTATION :
QV3N1&NO

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6800 mg/kg/57W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4500 mg/kg/30W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - tumors Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8500 mg/kg/57W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - tumors

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Yeast - Saccharomyces cerevisiae
DOSE/DURATION :
16260 mg/L
REFERENCE :
IAPUDO IARC Publications. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.27- 1979- Volume(issue)/page/year: 57,721,1984

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