methyl(thiophen-2-ylmethyl)amine hydrochloride

• ChemBase编号: 254635
• 分子式: C6H10ClNS
• 平均质量: 163.6683
• 单一同位素质量: 163.02224801
• SMILES: s1c(ccc1)CNC.Cl
• Canonical SMILES: CNCc1cccs1.Cl
• InChI: InChI=1S/C6H9NS.ClH/c1-7-5-6-3-2-4-8-6;/h2-4,7H,5H2,1H3;1H
• InChIKey: PTOIDTSLBDDEGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl(thiophen-2-ylmethyl)amine hydrochloride; methyl[(thiophen-2-yl)methyl]amine hydrochloride
• IUPAC传统名: methyl(thiophen-2-ylmethyl)amine hydrochloride
• 别名: N-methyl-1-(2-thienyl)methanamine hydrochloride; N-Methyl-1-(thiophen-2-yl)methanamine hydrochloride; methyl(thiophen-2-ylmethyl)amine hydrochloride; Methyl-thiophen-2-ylmethyl-amine hydrochloride; N-METHYL-(2-THIENYLMETHYL)AMINE HYDROCHLORIDE

登记号

• CAS号: 58255-18-8; 7404-67-3
• MDL号: MFCD03306020
• PubChem SID: 164310545
• PubChem CID: 458574

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.6698753
• LogD (pH = 7.4): -0.3545153
• Log P: 1.444476
• 摩尔折射率: 36.1959 cm^3
• 极化性: 14.183092 Å^3
• 极化表面积: 12.03 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

• 熔点: 194 - 196°C
• 疏水性(logP): 1.156

产品相关信息

• 纯度: 95%; 95+%; 96%; 98%