ethyl 2-amino-2-methylpropanoate hydrochloride

• ChemBase编号: 168404
• 分子式: C6H14ClNO2
• 平均质量: 167.63386
• 单一同位素质量: 167.07130637
• SMILES: C(OC(=O)C(N)(C)C)C.Cl
• Canonical SMILES: CCOC(=O)C(N)(C)C.Cl
• InChI: InChI=1S/C6H13NO2.ClH/c1-4-9-5(8)6(2,3)7;/h4,7H2,1-3H3;1H
• InChIKey: YREPHXXOTHNLEV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-amino-2-methylpropanoate hydrochloride
• IUPAC传统名: ethyl 2-amino-2-methylpropanoate hydrochloride
• 别名: 2-Methylalanine Ethyl Ester Hydrochloride; Ethyl α-Aminoisobutyrate Hydrochloride; α-Aminoisobutyric Acid Ethyl Ester Hydrochloride; α-Methylalanine Ethyl Ester Hydrochloride; Ethyl 2-Amino-2-methyl-1-propionate Hydrochloride; ethyl 2-amino-2-methylpropanoate hydrochloride

登记号

• CAS号: 17288-15-2
• MDL号: MFCD06809830
• PubChem SID: 162262536
• PubChem CID: 22343822

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.6939633
• LogD (pH = 7.4): -0.051751483
• Log P: 0.35675657
• 摩尔折射率: 34.7283 cm^3
• 极化性: 14.082125 Å^3
• 极化表面积: 52.32 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

• 疏水性(logP): 0.399

产品相关信息

• 纯度: 95%; 97%

详细说明

Toronto Research Chemicals - E898855

An amino acid derivative used in pharmaceutical compositions.

参考文献

• Kamandi, E., et al.: Arch. Pharmaz., 308, 135 (1975)
• Fidock, D., et al.: Mol. Cell, 6, 861 (1975)