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

• ChemBase ID: 307304
• Molecular Formular: C13H15N
• Molecular Mass: 185.2649
• Monoisotopic Mass: 185.12044949
• SMILES: c1(c2c(ccc1)cccc2)C(N)(C)C
• Canonical SMILES: CC(c1cccc2c1cccc2)(N)C
• InChI: InChI=1S/C13H15N/c1-13(2,14)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,14H2,1-2H3
• InChIKey: MCHJENPCEHYZQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)propan-2-amine
• IUPAC Traditional name: 2-(naphthalen-1-yl)propan-2-amine
• Synonyms: 2-(1-naphthyl)propan-2-amine; 2-(NAPHTHALEN-1-YL)PROPAN-2-AMINE

Database IDs

• CAS Number: 141983-61-1
• MDL Number: MFCD08059930

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.23653756
• LogD (pH = 7.4): 0.23282291
• Log P: 2.7856426
• Molar Refractivity: 60.0386 cm^3
• Polarizability: 25.085934 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%