4-tert-butylpyridin-2-amine

• ChemBase ID: 806660
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: n1c(cc(cc1)C(C)(C)C)N
• Canonical SMILES: Nc1nccc(c1)C(C)(C)C
• InChI: InChI=1S/C9H14N2/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6H,1-3H3,(H2,10,11)
• InChIKey: LLQPELYFCPYKRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 33252-26-5

CALCULATED PROPERTIES

• Log P: 2.0661612
• Molar Refractivity: 47.5809 cm^3
• Polarizability: 17.86519 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.73247576
• LogD (pH = 7.4): 1.8098259

PROPERTIES

Product Information

• Purity: 98%