6-tert-butyl-4-chloropyridin-3-amine

• ChemBase ID: 801524
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: n1cc(c(cc1C(C)(C)C)Cl)N
• Canonical SMILES: Nc1cnc(cc1Cl)C(C)(C)C
• InChI: InChI=1S/C9H13ClN2/c1-9(2,3)8-4-6(10)7(11)5-12-8/h4-5H,11H2,1-3H3
• InChIKey: AXJKIFCNGLVNSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-tert-butyl-4-chloropyridin-3-amine
• IUPAC Traditional name: 6-tert-butyl-4-chloropyridin-3-amine
• Synonyms: 6-TERT-BUTYL-4-CHLOROPYRIDIN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4310124
• LogD (pH = 7.4): 2.4611988
• Log P: 2.4615986
• Molar Refractivity: 51.7002 cm^3
• Polarizability: 19.729597 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%