3-amino-N-methylpropanamide hydrochloride

• ChemBase ID: 49220
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: C(=O)(CCN)NC.Cl
• Canonical SMILES: CNC(=O)CCN.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-6-4(7)2-3-5;/h2-3,5H2,1H3,(H,6,7);1H
• InChIKey: BYWCMHMCAMQJIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-methylpropanamide hydrochloride
• IUPAC Traditional name: 3-amino-N-methylpropanamide hydrochloride
• Synonyms: 3-Amino-N-methylpropanamide hydrochloride; 3-Amino-N-methylpropionamide hydrochloride

Database IDs

• CAS Number: 51739-61-8
• MDL Number: MFCD10686841
• PubChem SID: 162053983
• PubChem CID: 14889075

CALCULATED PROPERTIES

• Acid pKa: 16.402018
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.4278345
• LogD (pH = 7.4): -3.2052886
• Log P: -1.4937294
• Molar Refractivity: 27.4217 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

• Melting Point: 110-112°C; 111 - 113°C
• Hydrophobicity(logP): -1.331

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%