naphthalen-2-ylmethanamine

• ChemBase ID: 286698
• Molecular Formular: C11H11N
• Molecular Mass: 157.21174
• Monoisotopic Mass: 157.08914936
• SMILES: NCc1cc2c(cccc2)cc1
• Canonical SMILES: NCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H11N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8,12H2
• InChIKey: XBCAHQUVHHVHHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-2-ylmethanamine
• IUPAC Traditional name: naphthalen-2-ylmethanamine
• Synonyms: 1-(2-Naphthyl)methanamine

Database IDs

• CAS Number: 2018-90-8
• MDL Number: MFCD01529867
• PubChem SID: 180672229
• PubChem CID: 137282

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8941058
• LogD (pH = 7.4): 0.08524335
• Log P: 2.088491
• Molar Refractivity: 50.9816 cm^3
• Polarizability: 21.39968 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%