methyl[(5-methylthiophen-2-yl)methyl]amine hydrochloride

• ChemBase编号: 51091
• 分子式: C7H12ClNS
• 平均质量: 177.69488
• 单一同位素质量: 177.03789807
• SMILES: s1c(ccc1C)CNC.Cl
• Canonical SMILES: CNCc1ccc(s1)C.Cl
• InChI: InChI=1S/C7H11NS.ClH/c1-6-3-4-7(9-6)5-8-2;/h3-4,8H,5H2,1-2H3;1H
• InChIKey: OQOUPFNJXCXICY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(5-methylthiophen-2-yl)methyl]amine hydrochloride
• IUPAC传统名: methyl[(5-methylthiophen-2-yl)methyl]amine hydrochloride
• 别名: N-methyl-N-[(5-methylthien-2-yl)methyl]amine monohydrochloride; methyl[(5-methylthiophen-2-yl)methyl]amine hydrochloride; N-Methyl-1-(5-methyl-2-thienyl)methanamine hydrochloride; N-Methyl-N-[(5-methylthien-2-yl)methyl]amine hydrochloride; 2-Methyl-5-[(methylamino)methyl]thiophene hydrochloride 97%

登记号

• CAS号: 912569-78-9
• MDL号: MFCD07106798
• PubChem SID: 162055854
• PubChem CID: 17290686

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.0521297
• LogD (pH = 7.4): 0.1752751
• Log P: 2.0903368
• 摩尔折射率: 41.2522 cm^3
• 极化性: 15.944911 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: 168-169°C; 173 - 175°C
• 疏水性(logP): 1.655

安全信息

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

产品相关信息

• 纯度: 95%; 97%