(3-cyclopropylphenyl)methanamine

• ChemBase ID: 799417
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: NCc1cc(ccc1)C1CC1
• Canonical SMILES: NCc1cccc(c1)C1CC1
• InChI: InChI=1S/C10H13N/c11-7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6,9H,4-5,7,11H2
• InChIKey: KKROKOWBIBXNKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-cyclopropylphenyl)methanamine
• IUPAC Traditional name: (3-cyclopropylphenyl)methanamine
• Synonyms: (3-Cyclopropylbenzyl)amine

Database IDs

• CAS Number: 852877-59-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1110922
• LogD (pH = 7.4): -0.20088428
• Log P: 1.8802975
• Molar Refractivity: 46.92 cm^3
• Polarizability: 18.460115 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%