2-amino-N,N-dimethylethane-1-sulfonamide hydrochloride

• ChemBase ID: 34427
• Molecular Formular: C4H13ClN2O2S
• Molecular Mass: 188.67622
• Monoisotopic Mass: 188.03862635
• SMILES: NCCS(=O)(=O)N(C)C.Cl
• Canonical SMILES: NCCS(=O)(=O)N(C)C.Cl
• InChI: InChI=1S/C4H12N2O2S.ClH/c1-6(2)9(7,8)4-3-5;/h3-5H2,1-2H3;1H
• InChIKey: PIZGQSWCZNVPFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-dimethylethane-1-sulfonamide hydrochloride
• IUPAC Traditional name: 2-amino-N,N-dimethylethanesulfonamide hydrochloride
• Synonyms: 2-Amino-N,N-dimethylethanesulfonamide hydrochloride; 2-Amino-N,N-dimethylethanesulfonamide hydrochloride; 2-amino-N,N-dimethylethane-1-sulfonamide hydrochloride

Database IDs

• CAS Number: 91893-69-5; 91893-70-8
• MDL Number: MFCD04112919
• PubChem SID: 160997734
• PubChem CID: 23448789

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4215717
• LogD (pH = 7.4): -2.8150282
• Log P: -1.732692
• Molar Refractivity: 35.9339 cm^3
• Polarizability: 14.991998 Å^3
• Polar Surface Area: 63.4 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146 °C

Safety Information

• Storage Condition: Store under N2
• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%
• Empirical Formula (Hill Notation): C4H13ClN2O2S

DETAILS

Sigma Aldrich - CBR00871

Other Notes
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Legal Information
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