(dimethylsulfamoyl)(2-hydroxyethyl)amine

• ChemBase编号: 272343
• 分子式: C4H12N2O3S
• 平均质量: 168.21468
• 单一同位素质量: 168.05686325
• SMILES: S(=O)(=O)(N(C)C)NCCO
• Canonical SMILES: OCCNS(=O)(=O)N(C)C
• InChI: InChI=1S/C4H12N2O3S/c1-6(2)10(8,9)5-3-4-7/h5,7H,3-4H2,1-2H3
• InChIKey: KZPGKVAAISIIFE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (dimethylsulfamoyl)(2-hydroxyethyl)amine
• IUPAC传统名: (dimethylsulfamoyl)(2-hydroxyethyl)amine
• 别名: (dimethylsulfamoyl)(2-hydroxyethyl)amine

登记号

• MDL号: MFCD07528170
• PubChem SID: 164328253
• PubChem CID: 3657512

理论计算性质

• Acid pKa: 11.207972
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.0103798
• LogD (pH = 7.4): -2.0104375
• Log P: -2.0103776
• 摩尔折射率: 37.824 cm^3
• 极化性: 15.676709 Å^3
• 极化表面积: 69.64 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -1.16

产品相关信息

• 纯度: 95%