2-(chloromethyl)-1-methylpiperidine hydrochloride

• ChemBase编号: 55066
• 分子式: C7H15Cl2N
• 平均质量: 184.1067
• 单一同位素质量: 183.05815485
• SMILES: C1CN(C(CC1)CCl)C.Cl
• Canonical SMILES: ClCC1CCCCN1C.Cl
• InChI: InChI=1S/C7H14ClN.ClH/c1-9-5-3-2-4-7(9)6-8;/h7H,2-6H2,1H3;1H
• InChIKey: AZZOFXGSQFRBCS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(chloromethyl)-1-methylpiperidine hydrochloride
• IUPAC传统名: 2-(chloromethyl)-1-methylpiperidine hydrochloride
• 别名: 2-(Chloromethyl)-1-methylpiperidine hydrochloride; 2-(Chloromethyl)-1-methylpiperidine hydrochloride; 2-Chloromethyl-1-methylpiperidine hydrochloride

登记号

• CAS号: 27483-92-7
• MDL号: MFCD09800596
• PubChem SID: 162059829
• PubChem CID: 12644392

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -1.0574639
• LogD (pH = 7.4): 0.70332235
• Log P: 1.7647926
• 摩尔折射率: 41.1436 cm^3
• 极化性: 16.235746 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 1
• 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

• 纯度: 95+%
• Empirical Formula (Hill Notation): C7H15Cl2N

详细说明

Sigma Aldrich - CBR00922

Other Notes
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