2-aminoethane-1-sulfonamide hydrochloride

• ChemBase ID: 24566
• Molecular Formular: C2H9ClN2O2S
• Molecular Mass: 160.62306
• Monoisotopic Mass: 160.00732622
• SMILES: S(=O)(=O)(CCN)N.Cl
• Canonical SMILES: NCCS(=O)(=O)N.Cl
• InChI: InChI=1S/C2H8N2O2S.ClH/c3-1-2-7(4,5)6;/h1-3H2,(H2,4,5,6);1H
• InChIKey: DGUVEYAZTOUCEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoethane-1-sulfonamide hydrochloride
• IUPAC Traditional name: 2-aminoethanesulfonamide hydrochloride
• Synonyms: 2-Aminoethanesulfonamide hydrochloride

Database IDs

• CAS Number: 4378-70-5
• MDL Number: MFCD02258341
• PubChem SID: 160987873
• PubChem CID: 3021549

CALCULATED PROPERTIES

• Acid pKa: 11.923873
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.869137
• LogD (pH = 7.4): -3.2627907
• Log P: -2.1800442
• Molar Refractivity: 26.1405 cm^3
• Polarizability: 11.353574 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132 - 134°C
• Hydrophobicity(logP): -1.835

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%