(1-cyclopropanecarbonylpiperidin-4-yl)methanamine

• ChemBase编号: 144076
• 分子式: C10H18N2O
• 平均质量: 182.26272
• 单一同位素质量: 182.14191321
• SMILES: C1CC1C(=O)N1CCC(CC1)CN
• Canonical SMILES: NCC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C10H18N2O/c11-7-8-3-5-12(6-4-8)10(13)9-1-2-9/h8-9H,1-7,11H2
• InChIKey: MCOASAUGLHDNGH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-cyclopropanecarbonylpiperidin-4-yl)methanamine
• IUPAC传统名: (1-cyclopropanecarbonylpiperidin-4-yl)methanamine
• 别名: 1-[1-(Cyclopropylcarbonyl)piperidin-4-yl]methanamine; 1-[1-(cyclopropylcarbonyl)piperidin-4-yl]methanamine

登记号

• CAS号: 915922-83-7
• MDL号: MFCD08059856
• PubChem SID: 162238293
• PubChem CID: 42546147

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.146927
• LogD (pH = 7.4): -2.5344384
• Log P: -0.13136142
• 摩尔折射率: 51.8583 cm^3
• 极化性: 20.424976 Å^3
• 极化表面积: 46.33 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C10H18N2O

详细说明

Sigma Aldrich - CBR00474

Other Notes
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