5-(morpholin-4-yl)pentan-1-amine dihydrochloride

• ChemBase编号: 143669
• 分子式: C9H22Cl2N2O
• 平均质量: 245.18978
• 单一同位素质量: 244.11091869
• SMILES: C1COCCN1CCCCCN.Cl.Cl
• Canonical SMILES: NCCCCCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C9H20N2O.2ClH/c10-4-2-1-3-5-11-6-8-12-9-7-11;;/h1-10H2;2*1H
• InChIKey: VFXXSMCOCWOCSF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(morpholin-4-yl)pentan-1-amine dihydrochloride
• IUPAC传统名: 5-(morpholin-4-yl)pentan-1-amine dihydrochloride
• 别名: (5-Morpholin-4-ylpentyl)amine dihydrochloride

登记号

• MDL号: MFCD13186172
• PubChem SID: 162237886
• PubChem CID: 47000694

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -5.0308256
• LogD (pH = 7.4): -2.899308
• Log P: 0.19657628
• 摩尔折射率: 51.1234 cm^3
• 极化性: 20.324642 Å^3
• 极化表面积: 38.49 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C9H22Cl2N2O

详细说明

Sigma Aldrich - CBR00637

Other Notes
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