(5-methylthiophen-2-yl)methanamine hydrochloride

• ChemBase编号: 55599
• 分子式: C6H10ClNS
• 平均质量: 163.6683
• 单一同位素质量: 163.02224801
• SMILES: s1c(ccc1C)CN.Cl
• Canonical SMILES: Cc1ccc(s1)CN.Cl
• InChI: InChI=1S/C6H9NS.ClH/c1-5-2-3-6(4-7)8-5;/h2-3H,4,7H2,1H3;1H
• InChIKey: COTMVCYERKXKDX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (5-methylthiophen-2-yl)methanamine hydrochloride
• IUPAC传统名: (5-methylthiophen-2-yl)methanamine hydrochloride
• 别名: [(5-Methyl-2-thienyl)methyl]amine hydrochloride; (5-methylthien-2-yl)methylamine hydrochloride; (5-Methylthien-2-yl)methylamine hydrochloride; 2-(Aminomethyl)-5-methylthiophene hydrochloride 97%

登记号

• CAS号: 171661-55-5; 104163-34-0
• MDL号: MFCD09817548
• PubChem SID: 162060362
• PubChem CID: 24229725

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.2637534
• LogD (pH = 7.4): 0.0010358741
• Log P: 1.6577564
• 摩尔折射率: 36.4776 cm^3
• 极化性: 14.102385 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 191-193°C

安全信息

• 保存注意事项: IRRITANT; Toxic
• TSCA收录: false

产品相关信息

• 纯度: 97%