2-amino-N-ethylpropanamide

• ChemBase ID: 249240
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(NCC)C(N)C
• Canonical SMILES: CCNC(=O)C(N)C
• InChI: InChI=1S/C5H12N2O/c1-3-7-5(8)4(2)6/h4H,3,6H2,1-2H3,(H,7,8)
• InChIKey: SKPCTMWFLGENTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-ethylpropanamide
• IUPAC Traditional name: 2-amino-N-ethylpropanamide
• Synonyms: 2-amino-N-ethylpropanamide; N~1~-ethylalaninamide

Database IDs

• CAS Number: 1078791-14-6
• MDL Number: MFCD06655640
• PubChem SID: 164305150
• PubChem CID: 541608

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

• Hydrophobicity(logP): -0.767

Product Information

• Purity: 95%