4-ethylpiperazine-1-sulfonyl chloride hydrochloride

• ChemBase编号: 144022
• 分子式: C6H14Cl2N2O2S
• 平均质量: 249.15856
• 单一同位素质量: 248.01530406
• SMILES: CCN1CCN(CC1)S(=O)(=O)Cl.Cl
• Canonical SMILES: CCN1CCN(CC1)S(=O)(=O)Cl.Cl
• InChI: InChI=1S/C6H13ClN2O2S.ClH/c1-2-8-3-5-9(6-4-8)12(7,10)11;/h2-6H2,1H3;1H
• InChIKey: SKNRSRMGSONJPL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-ethylpiperazine-1-sulfonyl chloride hydrochloride
• IUPAC传统名: 4-ethylpiperazine-1-sulfonyl chloride hydrochloride
• 别名: 4-Ethylpiperazine-1-sulfonyl chloride hydrochloride; 4-ethylpiperazine-1-sulfonyl chloride hydrochloride

登记号

• MDL号: MFCD11505540
• PubChem SID: 162238239
• PubChem CID: 21973140

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.38302952
• LogD (pH = 7.4): -0.0074344557
• Log P: 2.4800634E-4
• 摩尔折射率: 49.47 cm^3
• 极化性: 19.891504 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 204 - 206°C
• 疏水性(logP): 0.699

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C6H14Cl2N2O2S

详细说明

Sigma Aldrich - CBR00872

Other Notes
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