1-(4-methylpyridin-3-yl)cyclopropan-1-amine

• ChemBase ID: 815070
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C1(CC1)(N)c1cnccc1C
• Canonical SMILES: Cc1ccncc1C1(N)CC1
• InChI: InChI=1S/C9H12N2/c1-7-2-5-11-6-8(7)9(10)3-4-9/h2,5-6H,3-4,10H2,1H3
• InChIKey: DERZCQBJIRQQTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylpyridin-3-yl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(4-methylpyridin-3-yl)cyclopropan-1-amine
• Synonyms: 1-(4-methylpyridin-3-yl)cyclopropanamine

Database IDs

• CAS Number: 1060804-86-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.186437
• LogD (pH = 7.4): -1.0650185
• Log P: 0.7840965
• Molar Refractivity: 44.5165 cm^3
• Polarizability: 17.52232 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%