cyclopropyl(pyridin-2-yl)methanamine

• ChemBase ID: 799171
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C(N)(c1ncccc1)C1CC1
• Canonical SMILES: NC(c1ccccn1)C1CC1
• InChI: InChI=1S/C9H12N2/c10-9(7-4-5-7)8-3-1-2-6-11-8/h1-3,6-7,9H,4-5,10H2
• InChIKey: PFYIHZIVTALTCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 535925-68-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9145381
• LogD (pH = 7.4): -0.519659
• Log P: 0.9553473
• Molar Refractivity: 43.5396 cm^3
• Polarizability: 17.604212 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%