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

• ChemBase ID: 233923
• Molecular Formular: C13H15ClN2O
• Molecular Mass: 250.724
• Monoisotopic Mass: 250.08729079
• SMILES: c1(NC(=O)CNC)c2c(ccc1)cccc2.Cl
• Canonical SMILES: CNCC(=O)Nc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C13H14N2O.ClH/c1-14-9-13(16)15-12-8-4-6-10-5-2-3-7-11(10)12;/h2-8,14H,9H2,1H3,(H,15,16);1H
• InChIKey: MKQBWWVWTAKHNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08445328
• PubChem SID: 164289833
• PubChem CID: 16245038

CALCULATED PROPERTIES

• Acid pKa: 12.869649
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0674239
• LogD (pH = 7.4): 0.61772406
• Log P: 1.7088835
• Molar Refractivity: 65.5055 cm^3
• Polarizability: 26.14208 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 267 - 269°C
• Hydrophobicity(logP): 1.765

Product Information

• Purity: 95%
• Salt Data: HCl