N-甲基-2-丙烯酰胺

N-甲基-2-丙烯酰胺 基本信息
CAS号 1187-59-3 分子式 C4H7NO
分子量 85.10450 精确质量  85.05280
PSA  29.10000 LogP  0.30930

基本信息 展开↓

CAS号:
1187-59-3
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分子式:
C4H7NO
分子量:
85.10450
中文名称:
N-甲基-2-丙烯酰胺
英文名称:
N-methylprop-2-enamide
中文别名:
N-甲基-2-丙烯酰胺
英文别名:
N-methylprop-2-enamide;
(meth-)acrylamide;
N-Methyl-acrylamid;
Acrylamide,N-methyl;
N-Methyl-2-propenamide;
2-Propenamide,N-methyl;
N-Methylacrylamide;
EINECS 214-700-0
精确分子量/精确质量:
85.05280
极性分子表面积/PSA:
29.10000
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。
EINECS:
214-700-0
InChI:
The Key: YPHQUSNPXDGUHL-UHFFFAOYSA-N

物化性质展开↓

密度:
0.89 g/cm3
沸点:
207.7ºC at 760 mmHg
闪点:
103.6ºC
折射率:
1.414
蒸汽压:
0.222mmHg at 25°C
其它信息:

1.密度(g/cm3):0.89

2.沸点(760 mmHg,ºC):207.7

3.闪点(ºC):103.6

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)
海关代码:
2924199090
危险类别码:
R20/21/22
安全标志:
S23:不要吸入蒸汽。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:

合成路线查看所有的合成路线

  • 5450-85-1

    [1-(methylamino)-1-oxopropan-2-yl] acetate

  • 1187-59-3

    N-甲基-2-丙烯酰胺

  • +

  • 75-07-0

    乙醛

  • 74-89-5

    甲胺

  • +

  • 74-86-2

    乙炔

  • 1187-59-3

    N-甲基-2-丙烯酰胺

  • 74-89-5

    甲胺

  • +

  • 140-88-5

    丙烯酸乙酯

  • 1187-59-3

    N-甲基-2-丙烯酰胺

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AS3676000
CHEMICAL NAME :
Acrylamide, N-methyl-
CAS REGISTRY NUMBER :
1187-59-3
BEILSTEIN REFERENCE NO. :
1737696
LAST UPDATED :
199701
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C4-H7-N-O
MOLECULAR WEIGHT :
85.12
WISWESSER LINE NOTATION :
1U1VM1

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 :
476 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 :
477 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 :
6500 mg/kg/13W-I
TOXIC EFFECTS :
Peripheral Nerve and Sensation - structural change in nerve or sheath Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - muscle weakness
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4988 mg/kg/18W-C
TOXIC EFFECTS :
Behavioral - muscle weakness
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2587 mg/kg/8W-I
TOXIC EFFECTS :
Related to Chronic Data - changes in testicular weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2544 mg/kg
SEX/DURATION :
male 16 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
595 gm/kg
SEX/DURATION :
male 5 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
595 gm/kg
SEX/DURATION :
male 5 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
596 mg/kg/5W (Continuous)
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 59,201,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1046 No. of Facilities: 122 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 367 (estimated)

海关数据查看详细

中国海关编码:2924199090

概述:
2924199090. 其他无环酰胺(包括无环氨基甲酸酯)(包括其衍生物及盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 包装
摘要/Summary:
2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):0.1

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积29.1

7.重原子数量:6

8.表面电荷:0

9.复杂度:67.9

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

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