[1-(pyridin-4-yl)cyclopropyl]methanamine

• ChemBase ID: 802801
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C(N)C1(CC1)c1ccncc1
• Canonical SMILES: NCC1(CC1)c1ccncc1
• InChI: InChI=1S/C9H12N2/c10-7-9(3-4-9)8-1-5-11-6-2-8/h1-2,5-6H,3-4,7,10H2
• InChIKey: ALFWXUALIKPMMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(pyridin-4-yl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(pyridin-4-yl)cyclopropyl]methanamine
• Synonyms: 1-(4-PYRIDINYL)-CYCLOPROPANEMETHANAMINE

Database IDs

• CAS Number: 680973-08-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7096658
• LogD (pH = 7.4): -1.5454777
• Log P: 0.44925082
• Molar Refractivity: 44.197 cm^3
• Polarizability: 17.524302 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%