6-(propan-2-yl)pyridine-2,3-diamine

• ChemBase ID: 801894
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: n1c(c(ccc1C(C)C)N)N
• Canonical SMILES: CC(c1ccc(c(n1)N)N)C
• InChI: InChI=1S/C8H13N3/c1-5(2)7-4-3-6(9)8(10)11-7/h3-5H,9H2,1-2H3,(H2,10,11)
• InChIKey: WFHZWBPYSWPMAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(propan-2-yl)pyridine-2,3-diamine
• IUPAC Traditional name: 6-isopropylpyridine-2,3-diamine
• Synonyms: 6-ISOPROPYLPYRIDINE-2,3-DIAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6700513
• LogD (pH = 7.4): 0.64343405
• Log P: 1.0670713
• Molar Refractivity: 47.4083 cm^3
• Polarizability: 17.15521 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%