(5-cyclopropylpyridin-3-yl)methanamine

• ChemBase ID: 796464
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C(N)c1cncc(c1)C1CC1
• Canonical SMILES: NCc1cncc(c1)C1CC1
• InChI: InChI=1S/C9H12N2/c10-4-7-3-9(6-11-5-7)8-1-2-8/h3,5-6,8H,1-2,4,10H2
• InChIKey: KMPVDFBSLSKVMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-cyclopropylpyridin-3-yl)methanamine
• IUPAC Traditional name: (5-cyclopropylpyridin-3-yl)methanamine
• Synonyms: (5-Cyclopropylpyridin-3-yl)MethanaMine

Database IDs

• CAS Number: 852877-60-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2881699
• LogD (pH = 7.4): -1.1095911
• Log P: 0.6626251
• Molar Refractivity: 44.7631 cm^3
• Polarizability: 17.522709 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%