3-甲氨基丙腈 | 693-05-0
中文名称:
3-甲氨基丙腈
英文名称:
3-(Methylamino)propanenitrile
CAS No.:
693-05-0
分子式:
C4 H8 N2
分子量:
84.1197
名称和标识符
MDL
MFCD00001954
InChIKey
UNIJBMUBHBAUET-UHFFFAOYSA-N
Inchi
1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
SMILES
N([H])(C([H])([H])[H])C([H])([H])C([H])([H])C#N
BRN
1699
别名信息
- 中文别名 -
3-甲氨基丙腈
β-甲胺基丙腈
3-甲胺基丙腈
3-甲胺基丙腈盐酸盐
3-(甲氨基)丙腈
3-(Methylamino)propionitrile 3-(甲氨基)丙腈
3-甲胺基丙腈,3-Methylaminopropionitrile
3-甲基胺丙腈
N-甲基-β-丙基腈
- 英文别名 -
3-(Methylamino)propanenitrile
(2-Cyanoethyl)methyl amine
(Methylamino)propionitrile
3-(methylamino)-propanenitril
3-(methylamino)-propionitril
3-(n-methylamino)propionitrile
ai3-26057
3-(Methylamino)propionitrile
3-(methyl amino)-propionitrile
3-(Methylamino)-prop
3-(Methylamino)-propanenitrile
3-Methyl aminopropionitrile
N-Methyl-b-alaninenitrile
N-Methyl-beta-alaninenitrile
3-Methylaminopropionitrile
Propanenitrile, 3-(methylamino)-
Propionitrile, 3-(methylamino)-
N-(2-Cyanoethyl)methylamine
(2-Cyanoethyl)methylamine
N-(beta-Cyanoethyl)methylamine
beta-(Methylamino)propionitrile
N-Methyl-beta-aminopropionitrile
beta-Methylaminopropionitril [German]
BRN 1699160
BB 0256572
CS-W011357
F0001-1800
J-640316
3-(N-Methylamino)propionitrile
Q-100777
EN300-17544
NSC-8399
N-Methyl-beta-alanine nitrile
beta-N-methylaminopropionitrile
InChI=1/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H
GS-3088
3-(methylamino)-propanenitrile
693-05-0
NSC 8399
N-methyl-(2-cyanoethyl)amine
N-methyl-N-beta-cyanoethylamine
DTXSID8061004
N-methyl-N-(2-cyanoethyl)amine
SY005346
M2312
N-methyl-N-(beta-cyanoethyl)amine
beta-Methylaminopropionitril
NSC8399
.beta.-Methylaminopropionitrile
N-Methyl-.beta.-alaninenitrile
b-methylaminopropionitrile
AKOS000118785
FT-0671462
3-(Methylamino)propionitrile, 98%
NS00036827
N-(2-cyanoethyl)-N-methylamine
N-Methyl-A-alaninenitrile
Z56951158
EINECS 211-740-0
N-(.beta.-Cyanoethyl)methylamine
3-(Methylamino)propanenitrile #
.beta.-(Methylamino)propionitrile
AI3-26057
FT-0632819
3-methylamino-propionitrile
N-methyl-N-(b-cyanoethyl)amine
N-.beta.-Cyanoethylmethylamine
J-800319
N-Methyl-.beta.-aminopropionitrile
MFCD00001954
3-04-00-01264 (Beilstein Handbook Reference)
物化性质
实验特性
LogP
0.51038
PSA
35.82000
折射率
n20/D 1.432(lit.)
沸点
81°C/24mmHg(lit.)
熔点
-21
闪点
华氏:235.4 °F 摄氏:113 °C
颜色与性状
黄色透明液体
溶解性
未确定
密度
0.899 g/mL at 25 °C(lit.)
计算特性
精确分子量
84.06870
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
2
同位素质量
84.069
重原子数量
6
复杂度
59.2
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
-0.5
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
35.8
海关数据
海关编码
29269095
海关数据
中国海关编码:
2926909090
概述:
2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 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
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
相关文献
1.
Synthesis and antibacterial activity evaluation of C-5 side chain modified analogues of FYL-66, a potential agent against methicillin-resistant Staphylococcus aureus
Xiaoyan Yang,Zicheng Li,Zhenling Wang,Zitai Sang,Haiyue Long,Jianying Tang,Tao Yang,Yuanyuan Liu,Youfu Luo Med. Chem. Commun. 2015 6 1156
2.
Conformational and tautomeric studies of acylguanidines. Part 1. Synthesis, ultraviolet spectroscopy, tautomeric preference, and site of protonation in some model compounds
John V. Greenhill,M. Jamil Ismail,Philip N. Edwards,Peter J. Taylor J. Chem. Soc. Perkin Trans. 2 1985 1255
参考资料
Reaxys RN
1699160
Beilstein
1699160
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