1-Butanamine,N-methyl-N-nitroso-

物化性质

密度：

0.93 g/mL(lit.)

沸点：

193.6ºC at 760 mmHg

闪点：

70.9ºC

折射率：

1.447

稳定性相关：

1. 存在于烟叶、烟气中。

其它信息：

1. 性状：黄色液体。

2. 沸点（ºC）：198，56ºC（0.2kpa）

3. 相对密度(d²⁰₄₎ ：0.9289

安全信息

密度：

0.93 g/mL(lit.)

沸点：

193.6ºC at 760 mmHg

闪点：

70.9ºC

折射率：

1.447

稳定性相关：

1. 存在于烟叶、烟气中。

其它信息：

1. 性状：黄色液体。

2. 沸点（ºC）：198，56ºC（0.2kpa）

3. 相对密度(d²⁰₄₎ ：0.9289

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

EO5425000

CHEMICAL NAME :

Butylamine, N-methyl-N-nitroso-

CAS REGISTRY NUMBER :

7068-83-9

BEILSTEIN REFERENCE NO. :

1701369

LAST UPDATED :

199612

DATA ITEMS CITED :

25

MOLECULAR FORMULA :

C5-H12-N2-O

MOLECULAR WEIGHT :

116.19

WISWESSER LINE NOTATION :

ONN4&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 :

130 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

90 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

120 mg/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - other changes Liver - other changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

90 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

25 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

10 mg/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 :

128 mg/kg/20W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

31 mg/kg/30W-1

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 :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

150 mg/kg/30W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

182 mg/kg/1Y-C

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Gastrointestinal - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

90 mg/kg/50W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Gastrointestinal - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - hamster

DOSE/DURATION :

604 mg/kg/23W-I

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

69 mg/kg/23W

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

100 mg/kg/24W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

69 mg/kg/23W-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 :

160 mg/kg/20W-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 :

160 mg/kg/20W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors Blood - tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

128 mg/kg/20W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors

MUTATION DATA

TYPE OF TEST :

Phage inhibition capacity

TEST SYSTEM :

Bacteria - Escherichia coli

DOSE/DURATION :

100 mg/L

REFERENCE :

TCMUE9 Topics in Chemical Mutagenesis. (Plenum Pub. Corp., 233 Spring Street, New York, NY 10013) V.1- 1984- Volume(issue)/page/year: 1,91,1984

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：33.07

2、 摩尔体积（cm³/mol）：123.7

3、 等张比容（90.2K）：291.9

4、 表面张力（dyne/cm）：30.9

5、 极化率（10-24cm3）：13.11

计算化学数据

1.疏水参数计算参考值（XlogP）:1.4

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积32.7

7.重原子数量:8

8.表面电荷:0

9.复杂度:65.4

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