4-amino-N,N-dimethylbutanamide hydrochloride

• ChemBase编号: 144007
• 分子式: C6H15ClN2O
• 平均质量: 166.6491
• 单一同位素质量: 166.08729079
• SMILES: CN(C)C(=O)CCCN.Cl
• Canonical SMILES: NCCCC(=O)N(C)C.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-8(2)6(9)4-3-5-7;/h3-5,7H2,1-2H3;1H
• InChIKey: FMNYKYLEMQYNPP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-amino-N,N-dimethylbutanamide hydrochloride
• IUPAC传统名: 4-amino-N,N-dimethylbutanamide hydrochloride
• 别名: 4-Amino-N,N-dimethylbutanamide hydrochloride; 4-amino-N,N-dimethylbutanamide hydrochloride

登记号

• MDL号: MFCD13196030
• PubChem SID: 162238224
• PubChem CID: 45792288

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.9996486
• LogD (pH = 7.4): -3.4395354
• Log P: -0.9813921
• 摩尔折射率: 37.0734 cm^3
• 极化性: 14.517068 Å^3
• 极化表面积: 46.33 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 111 - 113°C
• 疏水性(logP): -0.685

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C6H15ClN2O

详细说明

Sigma Aldrich - CBR00927

Other Notes
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