(3S,4S)-4-methoxy-1-methylpyrrolidin-3-amine dihydrochloride

• ChemBase编号: 143908
• 分子式: C6H16Cl2N2O
• 平均质量: 203.11004
• 单一同位素质量: 202.0639685
• SMILES: CN1C[C@@H]([C@H](C1)OC)N.Cl.Cl
• Canonical SMILES: CO[C@H]1CN(C[C@@H]1N)C.Cl.Cl
• InChI: InChI=1S/C6H14N2O.2ClH/c1-8-3-5(7)6(4-8)9-2;;/h5-6H,3-4,7H2,1-2H3;2*1H/t5-,6-;;/m0../s1
• InChIKey: JLVDRWLILONZCF-USPAICOZSA-N

名称和登记号

名称

• IUPAC标准名: (3S,4S)-4-methoxy-1-methylpyrrolidin-3-amine dihydrochloride
• IUPAC传统名: (3S,4S)-4-methoxy-1-methylpyrrolidin-3-amine dihydrochloride
• 别名: trans-4-Methoxy-1-methyl-3-pyrrolidinamine dihydrochloride

登记号

• PubChem SID: 162238125
• PubChem CID: 71311037

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.6723523
• LogD (pH = 7.4): -2.475649
• Log P: -0.7057806
• 摩尔折射率: 36.3528 cm^3
• 极化性: 14.7968 Å^3
• 极化表面积: 38.49 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): C6H16Cl2N2O

详细说明

Sigma Aldrich - CBR00679

Other Notes
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