2-amino-N-(naphthalen-1-yl)acetamide hydrochloride

• ChemBase ID: 124249
• Molecular Formular: C12H13ClN2O
• Molecular Mass: 236.69742
• Monoisotopic Mass: 236.07164073
• SMILES: c1(NC(=O)CN)c2c(ccc1)cccc2.Cl
• Canonical SMILES: NCC(=O)Nc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C12H12N2O.ClH/c13-8-12(15)14-11-7-3-5-9-4-1-2-6-10(9)11;/h1-7H,8,13H2,(H,14,15);1H
• InChIKey: DGUKPHFAODEZAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(naphthalen-1-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(naphthalen-1-yl)acetamide hydrochloride
• Synonyms: 2-amino-N-(naphthalen-1-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD16294053
• PubChem SID: 162218602
• PubChem CID: 47003070

CALCULATED PROPERTIES

• Acid pKa: 12.876756
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0967444
• LogD (pH = 7.4): 0.5976453
• Log P: 1.276303
• Molar Refractivity: 60.7309 cm^3
• Polarizability: 24.295063 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 254 - 256°C
• Hydrophobicity(logP): 1.424

Product Information

• Purity: 95%
• Salt Data: HCl