N-methylcycloheptanamine hydrochloride

• ChemBase编号: 143852
• 分子式: C8H18ClN
• 平均质量: 163.68822
• 单一同位素质量: 163.11277726
• SMILES: CNC1CCCCCC1.Cl
• Canonical SMILES: CNC1CCCCCC1.Cl
• InChI: InChI=1S/C8H17N.ClH/c1-9-8-6-4-2-3-5-7-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: QLAIBHKNAXKMHU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methylcycloheptanamine hydrochloride
• IUPAC传统名: N-methylcycloheptanamine hydrochloride
• 别名: N-Methylcycloheptanamine hydrochloride

登记号

• MDL号: MFCD13186330
• PubChem SID: 162238069
• PubChem CID: 53398892

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.1868691
• LogD (pH = 7.4): -0.9430818
• Log P: 2.0509608
• 摩尔折射率: 40.3086 cm^3
• 极化性: 16.292534 Å^3
• 极化表面积: 12.03 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): C8H18ClN

详细说明

Sigma Aldrich - CBR00882

Other Notes
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