3-methylpentan-1-amine

• ChemBase编号: 144140
• 分子式: C6H15N
• 平均质量: 101.19
• 单一同位素质量: 101.12044949
• SMILES: CCC(C)CCN
• Canonical SMILES: NCCC(CC)C
• InChI: InChI=1S/C6H15N/c1-3-6(2)4-5-7/h6H,3-5,7H2,1-2H3
• InChIKey: JLAUIBFZZUVOBB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methylpentan-1-amine
• IUPAC传统名: sec-butyl ethylamine; 3-methylpentan-1-amine
• 别名: (3-Methylpentyl)amine; (3-methylpentyl)amine

登记号

• CAS号: 42245-37-4
• MDL号: MFCD08059958
• PubChem SID: 162238357
• PubChem CID: 3055957

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.5937951
• LogD (pH = 7.4): -1.1692334
• Log P: 1.430028
• 摩尔折射率: 32.942 cm^3
• 极化性: 13.342089 Å^3
• 极化表面积: 26.02 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): C6H15N

详细说明

Sigma Aldrich - CBR00385

Other Notes
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