1-methoxy-2-methylpropan-2-amine hydrochloride

• ChemBase编号: 144100
• 分子式: C5H14ClNO
• 平均质量: 139.62376
• 单一同位素质量: 139.07639175
• SMILES: CC(C)(COC)N.Cl
• Canonical SMILES: COCC(N)(C)C.Cl
• InChI: InChI=1S/C5H13NO.ClH/c1-5(2,6)4-7-3;/h4,6H2,1-3H3;1H
• InChIKey: PNJWRLMQZGHSPA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methoxy-2-methylpropan-2-amine hydrochloride
• IUPAC传统名: tert-butylamine, 1-methoxy- hydrochloride
• 别名: (2-Methoxy-1,1-dimethylethyl)amine hydrochloride; 1-methoxy-2-methylpropan-2-amine hydrochloride

登记号

• MDL号: MFCD16036163
• PubChem SID: 162238317
• PubChem CID: 21255712

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.9913278
• LogD (pH = 7.4): -2.3877
• Log P: 0.02471732
• 摩尔折射率: 30.0193 cm^3
• 极化性: 12.157154 Å^3
• 极化表面积: 35.25 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 108 - 110°C
• 疏水性(logP): 0.176

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C5H14ClNO

详细说明

Sigma Aldrich - CBR00858

Other Notes
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