1-ethyl-3-methylpiperazin-2-one hydrobromide

• ChemBase编号: 144175
• 分子式: C7H15BrN2O
• 平均质量: 223.1108
• 单一同位素质量: 222.03677511
• SMILES: CCN1CCNC(C1=O)C.Br
• Canonical SMILES: CCN1CCNC(C1=O)C.Br
• InChI: InChI=1S/C7H14N2O.BrH/c1-3-9-5-4-8-6(2)7(9)10;/h6,8H,3-5H2,1-2H3;1H
• InChIKey: VZHRVHYNMLGLPC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethyl-3-methylpiperazin-2-one hydrobromide
• IUPAC传统名: 1-ethyl-3-methylpiperazin-2-one hydrobromide
• 别名: 1-Ethyl-3-methylpiperazin-2-one hydrobromide

登记号

• MDL号: MFCD13186099
• PubChem SID: 162238392
• PubChem CID: 53398829

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.9711825
• LogD (pH = 7.4): -0.5148681
• Log P: -0.32043839
• 摩尔折射率: 39.6671 cm^3
• 极化性: 15.631624 Å^3
• 极化表面积: 32.34 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): C7H15BrN2O

详细说明

Sigma Aldrich - CBR00710

Other Notes
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