77-81-6 (塔崩,Phosphoramidocyanidicacid, N,N-dimethyl-, ethyl ester)

结构式:
CAS号:
77-81-6
中文名称:
塔崩
英文名称:
Phosphoramidocyanidicacid, N,N-dimethyl-, ethyl ester
分子式:
C5H11N2O2P
分子量:
162.126801729202
管制类

塔崩(77-81-6)名称与标识符

名称

中文别名:
二甲胺氰磷酸乙酯;太奔;塔崩;
英文别名:
Phosphoramidocyanidicacid, N,N-dimethyl-, ethyl ester;[dimethylamino(ethoxy)phosphoryl]formonitrile;Dimethylamidoethoxyphosphoryl cyanide;Ethyl dimethylphosphoramidocyanidate;ethyl N,N-dimethylphosphoramidocyanidate;ethyl N,N-dimethylphosphoroamidocyanidate;Ethyl phosphorodimethylamidocyanidate;GA (chemical warfare agent);Gelan I;O-ethyl N,N-dimethyl phosphoramidocyanidate;O-ethyl N,N-dimethylphosphonocyanidate;Taboon A;TABUN;Trilon 83;AKOS006277925;BRN 1769395;TABUN [MI];T-2104;SCHEMBL60863;Ethyl dimethylamidocyanophosphate;NS00076441;Ethylester-dimethylamid kyseliny kyanfosfonove;(+/-)-TABUN;PD193237;HSDB 6378;EA 1205;UNII-S45M750QSH;BDBM50241987;77-81-6;Ethyl N,N-dimethylamino cyanophosphate;Dimethylaminocyanphosphorsaeureaethylester;DTXSID80861631;O-Ethyl N,N-dimethylphosphoramidocyanidate;Le-100;CCRIS 3421;Ethylester-dimethylamid kyseliny kyanfosfonove [Czech];N,N-DIMETHYLPHOSPHORAMIDOCYANIDIC ACID ETHYL ESTER;Dimethylphosphoramidocyanidic acid, ethyl ester;GA [Chemical Warfare Agent];Phosphoramidocyanidic acid, N,N-dimethyl-, ethyl ester;Q143289;TL 1578;Dimethylaminocyanphosphorsaeureaethylester [German];PJVJTCIRVMBVIA-UHFFFAOYSA-N;Ethyl N-dimethylphosphoramidocyanidate;Ethyl dimethylamidocyanidophosphate #;CHEMBL446997;S45M750QSH;Ethyl dimethylphosphoramido cyanidate;Phosphoramidocyanidic acid, dimethyl-, ethyl ester;

标识符

InChIKey:
PJVJTCIRVMBVIA-UHFFFAOYSA-N
Inchi:
1S/C5H11N2O2P/c1-4-9-10(8,5-6)7(2)3/h4H2,1-3H3
SMILES:
P(C#N)(N(C)C)(=O)OCC

塔崩(77-81-6)物化性质

实验特性

  • LogP : 1.25868
  • PSA : 63.14000
  • 折射率 : nD20 1.4250
  • 沸点 : bp760 240°; bp10 120°; bp9 100-108°
  • 熔点 : -50°
  • 密度 : 1.077

计算特性

  • 精确分子量 : 162.05600
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 162.05581460g/mol
  • 重原子数量 : 10
  • 复杂度 : 193
  • 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 : 1
  • 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) : 0.1
  • 拓扑分子极性表面积 : 53.3Ų

塔崩(77-81-6)安全信息

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