ethyl 3-amino-4-methylpentanoate hydrochloride

• ChemBase编号: 143725
• 分子式: C8H18ClNO2
• 平均质量: 195.68702
• 单一同位素质量: 195.1026065
• SMILES: CCOC(=O)CC(C(C)C)N.Cl
• Canonical SMILES: CCOC(=O)CC(C(C)C)N.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c1-4-11-8(10)5-7(9)6(2)3;/h6-7H,4-5,9H2,1-3H3;1H
• InChIKey: JHAWFIWKNHMVGB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-amino-4-methylpentanoate hydrochloride
• IUPAC传统名: ethyl 3-amino-4-methylpentanoate hydrochloride
• 别名: Ethyl 3-amino-4-methylpentanoate hydrochloride

登记号

• MDL号: MFCD13193895
• PubChem SID: 162237942
• PubChem CID: 18321650

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.0998998
• LogD (pH = 7.4): -1.233693
• Log P: 0.89630944
• 摩尔折射率: 43.6349 cm^3
• 极化性: 17.757055 Å^3
• 极化表面积: 52.32 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C8H18ClNO2

详细说明

Sigma Aldrich - CBR00804

Other Notes
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