2-tert-butylpyridin-4-amine

• ChemBase ID: 813517
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(cc(cc1)N)C(C)(C)C
• Canonical SMILES: CC(c1nccc(c1)N)(C)C
• InChI: InChI=1S/C9H14N2/c1-9(2,3)8-6-7(10)4-5-11-8/h4-6H,1-3H3,(H2,10,11)
• InChIKey: CHJHJHNACZQLTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butylpyridin-4-amine
• IUPAC Traditional name: 2-tert-butylpyridin-4-amine
• Synonyms: 2-(1,1-DIMETHYLETHYL)-4-PYRIDINAMINE

Database IDs

• CAS Number: 39919-69-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.41094652
• LogD (pH = 7.4): 0.6643863
• Log P: 1.8575541
• Molar Refractivity: 46.8954 cm^3
• Polarizability: 17.862944 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%