2-(naphthalen-2-yl)ethan-1-amine

• ChemBase ID: 306763
• Molecular Formular: C12H13N
• Molecular Mass: 171.23832
• Monoisotopic Mass: 171.10479942
• SMILES: c12cc(ccc1cccc2)CCN
• Canonical SMILES: NCCc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H13N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7-8,13H2
• InChIKey: ZOBYXAWBGJRPRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(naphthalen-2-yl)ethanamine
• Synonyms: 2-(2-naphthyl)ethanamine; 2-NAPHTHALEN-2-YL-ETHYLAMINE

Database IDs

• CAS Number: 2017-68-7
• MDL Number: MFCD01529868

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.631958
• LogD (pH = 7.4): 0.084076226
• Log P: 2.3771522
• Molar Refractivity: 55.7366 cm^3
• Polarizability: 23.158985 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%