hexahydro-1H-pyrrolizin-7a-ylmethanamine dihydrochloride

• ChemBase编号: 144037
• 分子式: C8H18Cl2N2
• 平均质量: 213.14792
• 单一同位素质量: 212.08470395
• SMILES: C1CC2(CCCN2C1)CN.Cl.Cl
• Canonical SMILES: NCC12CCCN2CCC1.Cl.Cl
• InChI: InChI=1S/C8H16N2.2ClH/c9-7-8-3-1-5-10(8)6-2-4-8;;/h1-7,9H2;2*1H
• InChIKey: RANYCJGXQIDGTG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hexahydro-1H-pyrrolizin-7a-ylmethanamine dihydrochloride
• IUPAC传统名: hexahydropyrrolizin-7a-ylmethanamine dihydrochloride
• 别名: (Tetrahydro-1H-pyrrolizin-7a(5H)-ylmethyl)amine dihydrochloride

登记号

• MDL号: MFCD18071211
• PubChem SID: 162238254
• PubChem CID: 53398819

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -5.1401587
• LogD (pH = 7.4): -3.2514172
• Log P: 0.18831638
• 摩尔折射率: 42.5797 cm^3
• 极化性: 17.072641 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

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C8H18Cl2N2

详细说明

Sigma Aldrich - CBR00682

Other Notes
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