4-amino-1-ethylpyrrolidin-2-one hydrochloride

• ChemBase编号: 143983
• 分子式: C6H13ClN2O
• 平均质量: 164.63322
• 单一同位素质量: 164.07164073
• SMILES: CCN1CC(CC1=O)N.Cl
• Canonical SMILES: CCN1CC(CC1=O)N.Cl
• InChI: InChI=1S/C6H12N2O.ClH/c1-2-8-4-5(7)3-6(8)9;/h5H,2-4,7H2,1H3;1H
• InChIKey: JCKAKVUHGUIRIG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-amino-1-ethylpyrrolidin-2-one hydrochloride
• IUPAC传统名: 4-amino-1-ethylpyrrolidin-2-one hydrochloride
• 别名: 4-Amino-1-ethylpyrrolidin-2-one hydrochloride

登记号

• MDL号: MFCD13186086
• PubChem SID: 162238200
• PubChem CID: 53398869

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.9780254
• LogD (pH = 7.4): -2.8314238
• Log P: -1.0250032
• 摩尔折射率: 34.7682 cm^3
• 极化性: 13.794192 Å^3
• 极化表面积: 46.33 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C6H13ClN2O

详细说明

Sigma Aldrich - CBR00819

Other Notes
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