(4-cyclopropylphenyl)methanamine

• ChemBase ID: 799418
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: NCc1ccc(cc1)C1CC1
• Canonical SMILES: NCc1ccc(cc1)C1CC1
• InChI: InChI=1S/C10H13N/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-7,11H2
• InChIKey: XHGPNIFDHYUTOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-cyclopropylphenyl)methanamine
• IUPAC Traditional name: (4-cyclopropylphenyl)methanamine
• Synonyms: 4-Cyclopropylbenzylamine

Database IDs

• CAS Number: 118184-67-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1114535
• LogD (pH = 7.4): -0.2043741
• Log P: 1.8802975
• Molar Refractivity: 46.92 cm^3
• Polarizability: 18.460077 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%