4-methylpentanimidamide hydrochloride

• ChemBase编号: 144051
• 分子式: C6H15ClN2
• 平均质量: 150.6497
• 单一同位素质量: 150.09237617
• SMILES: CC(C)CCC(=N)N.Cl
• Canonical SMILES: CC(CCC(=N)N)C.Cl
• InChI: InChI=1S/C6H14N2.ClH/c1-5(2)3-4-6(7)8;/h5H,3-4H2,1-2H3,(H3,7,8);1H
• InChIKey: BVWGMWLHWMOSOP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methylpentanimidamide hydrochloride
• IUPAC传统名: 4-methylpentanimidamide hydrochloride
• 别名: 4-Methylpentanimidamide hydrochloride

登记号

• MDL号: MFCD13193856
• PubChem SID: 162238268
• PubChem CID: 14144284

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -1.4992219
• LogD (pH = 7.4): -1.4988497
• Log P: 0.9162321
• 摩尔折射率: 45.4375 cm^3
• 极化性: 13.645636 Å^3
• 极化表面积: 49.87 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): C6H15ClN2

详细说明

Sigma Aldrich - CBR00806

Other Notes
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