N-(2-aminoethyl)-N-methylmethanesulfonamide

• ChemBase ID: 308761
• Molecular Formular: C4H12N2O2S
• Molecular Mass: 152.21528
• Monoisotopic Mass: 152.06194863
• SMILES: S(=O)(=O)(N(CCN)C)C
• Canonical SMILES: NCCN(S(=O)(=O)C)C
• InChI: InChI=1S/C4H12N2O2S/c1-6(4-3-5)9(2,7)8/h3-5H2,1-2H3
• InChIKey: XHZATVSDPWJIKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-N-methylmethanesulfonamide
• IUPAC Traditional name: N-(2-aminoethyl)-N-methylmethanesulfonamide
• Synonyms: N-(2-aminoethyl)-N-methylmethanesulfonamide

Database IDs

• CAS Number: 778572-84-2
• MDL Number: MFCD10016845

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.819799
• LogD (pH = 7.4): -3.6001801
• Log P: -1.8848811
• Molar Refractivity: 35.8101 cm^3
• Polarizability: 14.991998 Å^3
• Polar Surface Area: 63.4 Å^2