(4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine hydrochloride

• ChemBase编号: 143937
• 分子式: C8H15ClN2S
• 平均质量: 206.7361
• 单一同位素质量: 206.06444717
• SMILES: CCCc1nc(c(s1)CN)C.Cl
• Canonical SMILES: CCCc1nc(c(s1)CN)C.Cl
• InChI: InChI=1S/C8H14N2S.ClH/c1-3-4-8-10-6(2)7(5-9)11-8;/h3-5,9H2,1-2H3;1H
• InChIKey: QYTKKOBPUFDVSF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine hydrochloride
• IUPAC传统名: (4-methyl-2-propyl-1,3-thiazol-5-yl)methanamine hydrochloride
• 别名: 1-(4-Methyl-2-propyl-1,3-thiazol-5-yl)methanamine hydrochloride

登记号

• MDL号: MFCD18071226
• PubChem SID: 162238154
• PubChem CID: 50944173

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.5167131
• LogD (pH = 7.4): -0.020042883
• Log P: 1.2897859
• 摩尔折射率: 47.784 cm^3
• 极化性: 18.66749 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): C8H15ClN2S

详细说明

Sigma Aldrich - CBR00887

Other Notes
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