2-amino-2-methylpropanamide

• ChemBase ID: 262540
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: C(=O)(C(N)(C)C)N
• Canonical SMILES: NC(=O)C(N)(C)C
• InChI: InChI=1S/C4H10N2O/c1-4(2,6)3(5)7/h6H2,1-2H3,(H2,5,7)
• InChIKey: ZIOBGZDFMKCKGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methylpropanamide
• IUPAC Traditional name: 2-amino-2-methylpropanamide
• Synonyms: 2-methylalaninamide; 2-amino-2-methylpropanamide

Database IDs

• CAS Number: 16252-90-7
• MDL Number: MFCD11505290
• PubChem SID: 164318450
• PubChem CID: 6453783

CALCULATED PROPERTIES

• Acid pKa: 16.517313
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.739702
• LogD (pH = 7.4): -2.2193317
• Log P: -0.9528881
• Molar Refractivity: 27.0328 cm^3
• Polarizability: 10.84336 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120 - 122°C
• Hydrophobicity(logP): -1.253

Product Information

• Purity: 95%