2-amino-N-(benzyloxy)acetamide

• ChemBase ID: 811818
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: C(C(=O)NOCc1ccccc1)N
• Canonical SMILES: NCC(=O)NOCc1ccccc1
• InChI: InChI=1S/C9H12N2O2/c10-6-9(12)11-13-7-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12)
• InChIKey: ADTJHTYWRYNWNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(benzyloxy)acetamide
• IUPAC Traditional name: 2-amino-N-(benzyloxy)acetamide
• Synonyms: 2-AMINO-N-(BENZYLOXY)-ACETAMIDE

Database IDs

• CAS Number: 16975-23-8

CALCULATED PROPERTIES

• Acid pKa: 6.054915
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3562896
• LogD (pH = 7.4): -0.72834426
• Log P: -0.75239384
• Molar Refractivity: 48.6851 cm^3
• Polarizability: 19.276829 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%