4-cyclopropylnaphthalen-1-amine

• ChemBase ID: 800396
• Molecular Formular: C13H13N
• Molecular Mass: 183.24902
• Monoisotopic Mass: 183.10479942
• SMILES: c1cc2c(cc1)c(ccc2N)C1CC1
• Canonical SMILES: Nc1ccc(c2c1cccc2)C1CC1
• InChI: InChI=1S/C13H13N/c14-13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13/h1-4,7-9H,5-6,14H2
• InChIKey: NYKSBMRQNSCVMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropylnaphthalen-1-amine
• IUPAC Traditional name: 4-cyclopropylnaphthalen-1-amine
• Synonyms: 4-cyclopropylnaphthalen-1-amine

Database IDs

• CAS Number: 878671-94-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.886624
• LogD (pH = 7.4): 2.9147096
• Log P: 2.9150798
• Molar Refractivity: 59.5972 cm^3
• Polarizability: 23.824125 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%