N-[2-(benzylamino)ethyl]acetamide

• ChemBase ID: 276737
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(NCCNCc1ccccc1)C
• Canonical SMILES: CC(=O)NCCNCc1ccccc1
• InChI: InChI=1S/C11H16N2O/c1-10(14)13-8-7-12-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,13,14)
• InChIKey: MBXRLNWPEMYVIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(benzylamino)ethyl]acetamide
• IUPAC Traditional name: N-[2-(benzylamino)ethyl]acetamide
• Synonyms: N-[2-(benzylamino)ethyl]acetamide

Database IDs

• MDL Number: MFCD11162620
• PubChem SID: 164332647
• PubChem CID: 14464647

CALCULATED PROPERTIES

• Acid pKa: 16.17167
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4852476
• LogD (pH = 7.4): -1.0147574
• Log P: 0.55345744
• Molar Refractivity: 56.6996 cm^3
• Polarizability: 22.272726 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51 - 53°C
• Hydrophobicity(logP): 0.882

Product Information

• Purity: 95%