2-(2-bromoethyl)piperidine hydrobromide

• ChemBase编号: 143717
• 分子式: C7H15Br2N
• 平均质量: 273.0087
• 单一同位素质量: 270.95712349
• SMILES: C1CCNC(C1)CCBr.Br
• Canonical SMILES: BrCCC1CCCCN1.Br
• InChI: InChI=1S/C7H14BrN.BrH/c8-5-4-7-3-1-2-6-9-7;/h7,9H,1-6H2;1H
• InChIKey: FAMIYBHSLOMXQP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-bromoethyl)piperidine hydrobromide
• IUPAC传统名: 2-(2-bromoethyl)piperidine hydrobromide
• 别名: 2-(2-Bromoethyl)piperidine hydrobromide

登记号

• MDL号: MFCD12031713
• PubChem SID: 162237934
• PubChem CID: 53398831

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.56274
• LogD (pH = 7.4): -0.5709524
• Log P: 1.6271995
• 摩尔折射率: 43.6978 cm^3
• 极化性: 17.097967 Å^3
• 极化表面积: 12.03 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): C7H15Br2N

详细说明

Sigma Aldrich - CBR00714

Other Notes
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