1-(3-methylphenyl)cyclopropan-1-amine

• ChemBase ID: 308677
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1(CC1)(c1cc(ccc1)C)N
• Canonical SMILES: Cc1cccc(c1)C1(N)CC1
• InChI: InChI=1S/C10H13N/c1-8-3-2-4-9(7-8)10(11)5-6-10/h2-4,7H,5-6,11H2,1H3
• InChIKey: QAPBZJDWGYFMAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methylphenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(3-methylphenyl)cyclopropan-1-amine
• Synonyms: 1-m-tolylcyclopropanamine; 1-(3-methylphenyl)cyclopropanamine

Database IDs

• CAS Number: 503417-30-9
• MDL Number: MFCD07374481

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9984908
• LogD (pH = 7.4): -0.17357269
• Log P: 2.0017688
• Molar Refractivity: 46.6734 cm^3
• Polarizability: 18.461264 Å^3
• Polar Surface Area: 26.02 Å^2

PROPERTIES

Product Information

• Purity: 98%