4-(tert-butoxy)pyridin-3-amine

• ChemBase ID: 241581
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: c1(c(N)cncc1)OC(C)(C)C
• Canonical SMILES: Nc1cnccc1OC(C)(C)C
• InChI: InChI=1S/C9H14N2O/c1-9(2,3)12-8-4-5-11-6-7(8)10/h4-6H,10H2,1-3H3
• InChIKey: CWLBFWIFRGLFKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tert-butoxy)pyridin-3-amine
• IUPAC Traditional name: 4-(tert-butoxy)pyridin-3-amine
• Synonyms: 4-(tert-butoxy)pyridin-3-amine

Database IDs

• MDL Number: MFCD11196185
• PubChem SID: 164297491
• PubChem CID: 28994903

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.011309525
• LogD (pH = 7.4): 0.7496949
• Log P: 0.8229358
• Molar Refractivity: 48.8703 cm^3
• Polarizability: 18.608988 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.179

Product Information

• Purity: 95%