4-ethylpiperazine-1-sulfonyl chloride hydrochloride

• ChemBase ID: 144022
• Molecular Formular: C6H14Cl2N2O2S
• Molecular Mass: 249.15856
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpiperazine-1-sulfonyl chloride hydrochloride
• IUPAC Traditional name: 4-ethylpiperazine-1-sulfonyl chloride hydrochloride
• Synonyms: 4-Ethylpiperazine-1-sulfonyl chloride hydrochloride; 4-ethylpiperazine-1-sulfonyl chloride hydrochloride

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.38302952
• LogD (pH = 7.4): -0.0074344557
• Log P: 2.4800634E-4
• Molar Refractivity: 49.47 cm^3
• Polarizability: 19.891504 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 204 - 206°C
• Hydrophobicity(logP): 0.699

Product Information

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

DETAILS

Sigma Aldrich - CBR00872

Other Notes
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Legal Information
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