HCID44946

N,N-Dimethylcarbamic acid

dimethylcarbamic acid

C3H7NO289.09 g/molCAS 7260-94-8

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CN(C)C(=O)O
InChIKey: DWLVWMUCHSLGSU-UHFFFAOYSA-N
分子式: C3H7NO2
平均分子量: 89.09 g/mol
单同位素质量: 89.04767847

COMPUTED

结构计算性质

等待补全

XLogP: -0.2
极性表面积: 40.5 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 6
形式电荷: 0
复杂度: 59

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 18 条

7260-94-8Carbamic acid, dimethyl-N,N-dimethylcarbamic acidDTXSID60222928RefChem:1090583DTXCID90145419Dimethylcarbamic acidCarbamic acid, N,N-dimethyl-starbld0006556SCHEMBL15360SCHEMBL41988CHEMBL177591SCHEMBL1232328SCHEMBL13168177260-94-8(free acid)CHEBI:38544Dimethylamine Metformin Impurity 14Q27117896

REACTIONS

参与反应

9 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

查看