2-(methylamino)propanamide

• ChemBase ID: 143800
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: CC(C(=O)N)NC
• Canonical SMILES: CC(C(=O)N)NC
• InChI: InChI=1S/C4H10N2O/c1-3(6-2)4(5)7/h3,6H,1-2H3,(H2,5,7)
• InChIKey: QKNFFJHHPCWXTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)propanamide
• IUPAC Traditional name: 2-(methylamino)propanamide
• Synonyms: N2-Methylalaninamide; N~2~-methylalaninamide

Database IDs

• CAS Number: 32012-16-1
• MDL Number: MFCD11176109
• PubChem SID: 162238017
• PubChem CID: 12306254

CALCULATED PROPERTIES

• Acid pKa: 16.5663
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.9694357
• LogD (pH = 7.4): -2.4666307
• Log P: -0.95307356
• Molar Refractivity: 27.0941 cm^3
• Polarizability: 10.84336 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C4H10N2O

DETAILS

Sigma Aldrich - CBR00065

Other Notes
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Legal Information
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