2-amino-N,2-dimethylpropanamide hydrochloride

• ChemBase ID: 49222
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=O)(C(N)(C)C)NC.Cl
• Canonical SMILES: CNC(=O)C(N)(C)C.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-5(2,6)4(8)7-3;/h6H2,1-3H3,(H,7,8);1H
• InChIKey: NWUSHCIBKUDLAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,2-dimethylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N,2-dimethylpropanamide hydrochloride
• Synonyms: 2-Amino-N,2-dimethylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562339
• PubChem SID: 162053985
• PubChem CID: 53409047

CALCULATED PROPERTIES

• Acid pKa: 16.143509
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5130491
• LogD (pH = 7.4): -1.989282
• Log P: -0.729212
• Molar Refractivity: 31.9295 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false