2-amino-N-(2-phenylethyl)acetamide hydrochloride

• ChemBase ID: 124484
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: C(=O)(NCCc1ccccc1)CN.Cl
• Canonical SMILES: NCC(=O)NCCc1ccccc1.Cl
• InChI: InChI=1S/C10H14N2O.ClH/c11-8-10(13)12-7-6-9-4-2-1-3-5-9;/h1-5H,6-8,11H2,(H,12,13);1H
• InChIKey: IAGTYRDQZLLIDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-phenylethyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(2-phenylethyl)acetamide hydrochloride
• Synonyms: 2-amino-N-(2-phenylethyl)acetamide hydrochloride; 2-amino-N-phenethylacetamide hydrochloride

Database IDs

• MDL Number: MFCD14705831
• PubChem SID: 162218837
• PubChem CID: 47002492

CALCULATED PROPERTIES

• Acid pKa: 15.882859
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.210654
• LogD (pH = 7.4): -0.527492
• Log P: 0.2823922
• Molar Refractivity: 52.0899 cm^3
• Polarizability: 20.430403 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 0.492

Product Information

• Purity: 95%
• Salt Data: HCl