3-amino-N-ethylpropanamide hydrochloride

• ChemBase ID: 49244
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=O)(CCN)NCC.Cl
• Canonical SMILES: NCCC(=O)NCC.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-2-7-5(8)3-4-6;/h2-4,6H2,1H3,(H,7,8);1H
• InChIKey: XMYFSWYNWAHCAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-ethylpropanamide hydrochloride
• IUPAC Traditional name: 3-amino-N-ethylpropanamide hydrochloride
• Synonyms: 3-Amino-N-ethylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562346
• PubChem SID: 162054007
• PubChem CID: 53409686

CALCULATED PROPERTIES

• Acid pKa: 16.36318
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.0710254
• LogD (pH = 7.4): -2.8484757
• Log P: -1.1369214
• Molar Refractivity: 32.1703 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false