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

• ChemBase ID: 799072
• Molecular Formular: C13H13N
• Molecular Mass: 183.24902
• Monoisotopic Mass: 183.10479942
• SMILES: C1(CC1)(N)c1c2ccccc2ccc1
• Canonical SMILES: NC1(CC1)c1cccc2c1cccc2
• InChI: InChI=1S/C13H13N/c14-13(8-9-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,14H2
• InChIKey: ZBHKDZNJLCDLEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 503417-39-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.53003967
• LogD (pH = 7.4): 0.20325188
• Log P: 2.4778242
• Molar Refractivity: 58.0824 cm^3
• Polarizability: 24.33009 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%