2-(methylamino)propanamide hydrochloride

• ChemBase ID: 246649
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: C(=O)(C(NC)C)N.Cl
• Canonical SMILES: CC(C(=O)N)NC.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-3(6-2)4(5)7;/h3,6H,1-2H3,(H2,5,7);1H
• InChIKey: NTRIIVWAPJXOQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)propanamide hydrochloride
• IUPAC Traditional name: 2-(methylamino)propanamide hydrochloride
• Synonyms: 2-(methylamino)propanamide hydrochloride

Database IDs

• PubChem SID: 164302559
• PubChem CID: 71433439

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

Physical Property

• Hydrophobicity(logP): -1.221

Product Information

• Purity: 95%