1-methyl-2-phenylpiperazine hydrate dihydrochloride

• ChemBase编号: 144185
• 分子式: C11H20Cl2N2O
• 平均质量: 267.1953
• 单一同位素质量: 266.09526863
• SMILES: CN1CCNCC1c1ccccc1.O.Cl.Cl
• Canonical SMILES: CN1CCNCC1c1ccccc1.O.Cl.Cl
• InChI: InChI=1S/C11H16N2.2ClH.H2O/c1-13-8-7-12-9-11(13)10-5-3-2-4-6-10;;;/h2-6,11-12H,7-9H2,1H3;2*1H;1H2
• InChIKey: ZXFSEAGAVBSBGU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methyl-2-phenylpiperazine hydrate dihydrochloride
• IUPAC传统名: 1-methyl-2-phenylpiperazine hydrate dihydrochloride
• 别名: 1-Methyl-2-phenylpiperazine dihydrochloride hydrate

登记号

• MDL号: MFCD18071191
• PubChem SID: 162238402
• PubChem CID: 53398790

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.8025811
• LogD (pH = 7.4): -0.30035526
• Log P: 1.4384813
• 摩尔折射率: 55.0263 cm^3
• 极化性: 21.905655 Å^3
• 极化表面积: 15.27 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): C11H20Cl2N2O

详细说明

Sigma Aldrich - CBR00615

Other Notes
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