1-aminopropane-2-sulfonamide hydrochloride

• ChemBase ID: 245671
• Molecular Formular: C3H11ClN2O2S
• Molecular Mass: 174.64964
• Monoisotopic Mass: 174.02297628
• SMILES: S(=O)(=O)(C(CN)C)N.Cl
• Canonical SMILES: NCC(S(=O)(=O)N)C.Cl
• InChI: InChI=1S/C3H10N2O2S.ClH/c1-3(2-4)8(5,6)7;/h3H,2,4H2,1H3,(H2,5,6,7);1H
• InChIKey: AVBIKLXDQUBZLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminopropane-2-sulfonamide hydrochloride
• IUPAC Traditional name: 1-aminopropane-2-sulfonamide hydrochloride
• Synonyms: 1-aminopropane-2-sulfonamide hydrochloride

Database IDs

• MDL Number: MFCD23144119
• PubChem SID: 164301581
• PubChem CID: 71432993

CALCULATED PROPERTIES

• Acid pKa: 11.880012
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.343056
• LogD (pH = 7.4): -2.7685473
• Log P: -1.6112798
• Molar Refractivity: 30.6831 cm^3
• Polarizability: 13.169777 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): -1.526

Product Information

• Purity: 95%