1-(2-methylphenyl)cyclopropan-1-amine

• ChemBase ID: 308688
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1(CC1)(c1c(C)cccc1)N
• Canonical SMILES: Cc1ccccc1C1(N)CC1
• InChI: InChI=1S/C10H13N/c1-8-4-2-3-5-9(8)10(11)6-7-10/h2-5H,6-7,11H2,1H3
• InChIKey: FDPOMQRUQMOUTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylphenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(2-methylphenyl)cyclopropan-1-amine
• Synonyms: 1-o-tolylcyclopropanamine; 1-(2-methylphenyl)cyclopropanamine

Database IDs

• CAS Number: 503417-29-6
• MDL Number: MFCD07374471

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9963459
• LogD (pH = 7.4): -0.14901924
• Log P: 2.0017688
• Molar Refractivity: 46.6734 cm^3
• Polarizability: 18.461542 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%