(2-propyl-1,3-thiazol-4-yl)methanamine hydrochloride

• ChemBase编号: 143818
• 分子式: C7H13ClN2S
• 平均质量: 192.70952
• 单一同位素质量: 192.04879711
• SMILES: CCCc1nc(cs1)CN.Cl
• Canonical SMILES: CCCc1scc(n1)CN.Cl
• InChI: InChI=1S/C7H12N2S.ClH/c1-2-3-7-9-6(4-8)5-10-7;/h5H,2-4,8H2,1H3;1H
• InChIKey: DAATWHXUJORYAS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-propyl-1,3-thiazol-4-yl)methanamine hydrochloride
• IUPAC传统名: (2-propyl-1,3-thiazol-4-yl)methanamine hydrochloride
• 别名: 1-(2-Propyl-1,3-thiazol-4-yl)methanamine hydrochloride

登记号

• MDL号: MFCD18071225
• PubChem SID: 162238035
• PubChem CID: 50944167

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.4791971
• LogD (pH = 7.4): 0.17866257
• Log P: 1.1074482
• 摩尔折射率: 42.8862 cm^3
• 极化性: 16.909649 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C7H13ClN2S

详细说明

Sigma Aldrich - CBR00885

Other Notes
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