naphthalen-1-ylmethanamine hydrochloride

• ChemBase ID: 271947
• Molecular Formular: C11H12ClN
• Molecular Mass: 193.67268
• Monoisotopic Mass: 193.06582707
• SMILES: c12c(CN)cccc1cccc2.Cl
• Canonical SMILES: NCc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C11H11N.ClH/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8,12H2;1H
• InChIKey: NEXZCFUBZJBRCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-1-ylmethanamine hydrochloride
• IUPAC Traditional name: naphthalen-1-ylmethanamine hydrochloride
• Synonyms: naphthalen-1-ylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD15147375
• PubChem SID: 164327857
• PubChem CID: 458436

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9139852
• LogD (pH = 7.4): -0.11365392
• Log P: 2.088491
• Molar Refractivity: 50.9816 cm^3
• Polarizability: 21.400492 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 256 - 258°C
• Hydrophobicity(logP): 2.268

Product Information

• Purity: 95%