{1-[(methylamino)methyl]cyclopentyl}methanol

• ChemBase编号: 38116
• 分子式: C8H17NO
• 平均质量: 143.22668
• 单一同位素质量: 143.13101417
• SMILES: C1CCC(C1)(CO)CNC
• Canonical SMILES: OCC1(CCCC1)CNC
• InChI: InChI=1S/C8H17NO/c1-9-6-8(7-10)4-2-3-5-8/h9-10H,2-7H2,1H3
• InChIKey: SULZFQBYJXFVTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {1-[(methylamino)methyl]cyclopentyl}methanol
• IUPAC传统名: {1-[(methylamino)methyl]cyclopentyl}methanol
• 别名: {1-[(Methylamino)methyl]cyclopentyl}methanol; (1-[(Methylamino)methyl]cyclopentyl)methanol

登记号

• CAS号: 959238-70-1
• MDL号: MFCD09864433
• PubChem SID: 161001423
• PubChem CID: 25220828

理论计算性质

• Acid pKa: 15.071809
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.6487768
• LogD (pH = 7.4): -2.0071664
• Log P: 0.5740658
• 摩尔折射率: 42.0102 cm^3
• 极化性: 16.88203 Å^3
• 极化表面积: 32.26 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C8H17NO

详细说明

Sigma Aldrich - CBR00413

Other Notes
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