6-(propan-2-yl)pyridin-3-amine

• ChemBase ID: 294419
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: Nc1ccc(C(C)C)nc1
• Canonical SMILES: Nc1ccc(nc1)C(C)C
• InChI: InChI=1S/C8H12N2/c1-6(2)8-4-3-7(9)5-10-8/h3-6H,9H2,1-2H3
• InChIKey: XYGFISRAXLLACA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(propan-2-yl)pyridin-3-amine
• IUPAC Traditional name: 6-isopropylpyridin-3-amine
• Synonyms: 6-Isopropylpyridin-3-amine

Database IDs

• CAS Number: 405103-02-8
• MDL Number: MFCD08460245
• PubChem SID: 180679950
• PubChem CID: 17854288

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.77570903
• LogD (pH = 7.4): 1.2876797
• Log P: 1.3015398
• Molar Refractivity: 42.3944 cm^3
• Polarizability: 16.02222 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%