methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})amine hydrochloride

• ChemBase编号: 173845
• 分子式: C8H15ClN2S
• 平均质量: 206.7361
• 单一同位素质量: 206.06444717
• SMILES: c1(nc(cs1)CNC)C(C)C.Cl
• Canonical SMILES: CNCc1csc(n1)C(C)C.Cl
• InChI: InChI=1S/C8H14N2S.ClH/c1-6(2)8-10-7(4-9-3)5-11-8;/h5-6,9H,4H2,1-3H3;1H
• InChIKey: MZHCXYATKCSZHX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})amine hydrochloride
• IUPAC传统名: [(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amine hydrochloride
• 别名: 2-Isopropyl-4-[(N-methylamino)methyl]thiazole Hydrochloride; N-Methyl-2-(1-methylethyl)-4-thiazolemethanamine Hydrochloride; N-Methyl-N-[(2-isopropyl]-4-thiazolyl)methyl)amine, Hydrochloride Salt; 1-(2-Isopropylthiazol-4-yl)-N-methylmethanamine hydrochloride

登记号

• CAS号: 908591-25-3
• PubChem SID: 164229755
• PubChem CID: 11622565

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.85461015
• LogD (pH = 7.4): 0.87976253
• Log P: 1.6384462
• 摩尔折射率: 47.6343 cm^3
• 极化性: 18.74937 Å^3
• 极化表面积: 24.92 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; DMSO
• 外观: Brown Solid
• 熔点: 62-65°C

安全信息

• 保存条件: Hygroscopic, Refrigerator, Under Inert Atmosphere

产品相关信息

• 纯度: 95+%

详细说明

Toronto Research Chemicals - M314835

An intermediate in the synthesis of Ritonavir.