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

• ChemBase ID: 70677
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(cccc(n1)C(C)C)N
• Canonical SMILES: Nc1cccc(n1)C(C)C
• InChI: InChI=1S/C8H12N2/c1-6(2)7-4-3-5-8(9)10-7/h3-6H,1-2H3,(H2,9,10)
• InChIKey: HAHXPMFFMRTIJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 78177-12-5
• MDL Number: MFCD09743891
• PubChem SID: 162036390
• PubChem CID: 21725596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.34743804
• LogD (pH = 7.4): 1.6662892
• Log P: 1.8959973
• Molar Refractivity: 42.7079 cm^3
• Polarizability: 16.022528 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%