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

• ChemBase ID: 799073
• Molecular Formular: C13H13N
• Molecular Mass: 183.24902
• Monoisotopic Mass: 183.10479942
• SMILES: C1(CC1)(N)c1ccc2c(cccc2)c1
• Canonical SMILES: NC1(CC1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C13H13N/c14-13(7-8-13)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8,14H2
• InChIKey: JEMQNDTVFZPFLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(naphthalen-2-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(naphthalen-2-yl)cyclopropan-1-amine
• Synonyms: 1-(naphthalen-2-yl)cyclopropanamine

Database IDs

• CAS Number: 604799-97-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.51414096
• LogD (pH = 7.4): 0.39107054
• Log P: 2.4778242
• Molar Refractivity: 58.0824 cm^3
• Polarizability: 24.329111 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%