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

• ChemBase ID: 795815
• Molecular Formular: C12H13N
• Molecular Mass: 171.23832
• Monoisotopic Mass: 171.10479942
• SMILES: N[C@H](C)c1c2ccccc2ccc1
• Canonical SMILES: C[C@H](c1cccc2c1cccc2)N
• InChI: InChI=1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m1/s1
• InChIKey: RTCUCQWIICFPOD-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(naphthalen-1-yl)ethan-1-amine
• IUPAC Traditional name: (1R)-1-(naphthalen-1-yl)ethanamine
• Synonyms: R-(+)-a-(1-Naphthyl)ethylaMine

Database IDs

• CAS Number: 3886-70-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5094891
• LogD (pH = 7.4): 0.12105254
• Log P: 2.505066
• Molar Refractivity: 55.4004 cm^3
• Polarizability: 23.242867 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%