[1-(pyridin-3-yl)cyclopropyl]methanamine

• ChemBase ID: 802725
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C(N)C1(CC1)c1cnccc1
• Canonical SMILES: NCC1(CC1)c1cccnc1
• InChI: InChI=1S/C9H12N2/c10-7-9(3-4-9)8-2-1-5-11-6-8/h1-2,5-6H,3-4,7,10H2
• InChIKey: ZIBFGGQBAFAKDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(pyridin-3-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(pyridin-3-yl)cyclopropyl]methanamine
• Synonyms: (1-(PYRIDIN-3-YL)CYCLOPROPYL)METHANAMINE

Database IDs

• CAS Number: 1020087-88-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5340593
• LogD (pH = 7.4): -1.5119907
• Log P: 0.44925082
• Molar Refractivity: 44.197 cm^3
• Polarizability: 17.525572 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%