2-ethoxybutan-1-amine hydrochloride

• ChemBase编号: 144364
• 分子式: C6H16ClNO
• 平均质量: 153.65034
• 单一同位素质量: 153.09204182
• SMILES: CCC(CN)OCC.Cl
• Canonical SMILES: CCOC(CN)CC.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-3-6(5-7)8-4-2;/h6H,3-5,7H2,1-2H3;1H
• InChIKey: HCRHVEMBASIYCO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethoxybutan-1-amine hydrochloride
• IUPAC传统名: 2-ethoxybutan-1-amine hydrochloride
• 别名: (2-Ethoxybutyl)amine monohydrochloride

登记号

• MDL号: MFCD18428114
• PubChem SID: 162238579
• PubChem CID: 53398977

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.3635116
• LogD (pH = 7.4): -1.4170684
• Log P: 0.623471
• 摩尔折射率: 34.6537 cm^3
• 极化性: 14.000582 Å^3
• 极化表面积: 35.25 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C6H16ClNO

详细说明

Sigma Aldrich - CBR01063

Other Notes
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