[1-(pyridin-2-yl)cyclopropyl]methanamine

• ChemBase ID: 815478
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C(N)C1(CC1)c1ncccc1
• Canonical SMILES: NCC1(CC1)c1ccccn1
• InChI: InChI=1S/C9H12N2/c10-7-9(4-5-9)8-3-1-2-6-11-8/h1-3,6H,4-5,7,10H2
• InChIKey: LAYWXWONVPWAMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(pyridin-2-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(pyridin-2-yl)cyclopropyl]methanamine
• Synonyms: (1-(pyridin-2-yl)cyclopropyl)methanamine

Database IDs

• CAS Number: 812640-83-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1342428
• LogD (pH = 7.4): -1.0385942
• Log P: 0.8351011
• Molar Refractivity: 43.825 cm^3
• Polarizability: 17.526493 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%