(1-methylpyrrolidin-2-yl)methanamine dihydrochloride

• ChemBase编号: 143743
• 分子式: C6H16Cl2N2
• 平均质量: 187.11064
• 单一同位素质量: 186.06905388
• SMILES: CN1CCCC1CN.Cl.Cl
• Canonical SMILES: NCC1CCCN1C.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-8-4-2-3-6(8)5-7;;/h6H,2-5,7H2,1H3;2*1H
• InChIKey: IJGRIKWUFZJOEJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-methylpyrrolidin-2-yl)methanamine dihydrochloride
• IUPAC传统名: (1-methylpyrrolidin-2-yl)methanamine dihydrochloride
• 别名: 1-(1-Methylpyrrolidin-2-yl)methanamine dihydrochloride

登记号

• MDL号: MFCD18071212
• PubChem SID: 162237960
• PubChem CID: 53398823

理论计算性质

• 摩尔折射率: 35.1491 cm^3
• 极化性: 14.118806 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -5.1451473
• LogD (pH = 7.4): -2.8681512
• Log P: -0.1412498

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C6H16Cl2N2

详细说明

Sigma Aldrich - CBR00699

Other Notes
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