2-amino-N-ethylpropanamide hydrochloride

• ChemBase ID: 49243
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=O)(NCC)C(N)C.Cl
• Canonical SMILES: CCNC(=O)C(N)C.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-3-7-5(8)4(2)6;/h4H,3,6H2,1-2H3,(H,7,8);1H
• InChIKey: MODWWLOSRKXDKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971350
• PubChem SID: 162054006
• PubChem CID: 43810485

CALCULATED PROPERTIES

• Acid pKa: 16.084803
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4595022
• LogD (pH = 7.4): -1.8321956
• Log P: -0.8051699
• Molar Refractivity: 31.9648 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 238 - 240°C
• Hydrophobicity(logP): -0.767

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%