4-propylpyridin-2-amine

• ChemBase ID: 815899
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: Nc1nccc(c1)CCC
• Canonical SMILES: CCCc1ccnc(c1)N
• InChI: InChI=1S/C8H12N2/c1-2-3-7-4-5-10-8(9)6-7/h4-6H,2-3H2,1H3,(H2,9,10)
• InChIKey: CGGOAYCJQTWSOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-propylpyridin-2-amine
• IUPAC Traditional name: 4-propylpyridin-2-amine
• Synonyms: 4-PROPYLPYRIDIN-2-YLAMINE

Database IDs

• CAS Number: 61702-15-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.54747224
• LogD (pH = 7.4): 1.5905788
• Log P: 1.9236637
• Molar Refractivity: 43.1582 cm^3
• Polarizability: 16.021143 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%