6-tert-butylpyridine-2,3-diamine

• ChemBase ID: 801131
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1c(c(ccc1C(C)(C)C)N)N
• Canonical SMILES: Nc1ccc(nc1N)C(C)(C)C
• InChI: InChI=1S/C9H15N3/c1-9(2,3)7-5-4-6(10)8(11)12-7/h4-5H,10H2,1-3H3,(H2,11,12)
• InChIKey: AFMWNDCUXANUMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-tert-butylpyridine-2,3-diamine
• IUPAC Traditional name: 6-tert-butylpyridine-2,3-diamine
• Synonyms: 2,3-DIAMINO-6-TERT-BUTYLPYRIDINE

Database IDs

• CAS Number: 893444-20-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.036244754
• LogD (pH = 7.4): 1.2991976
• Log P: 1.6230856
• Molar Refractivity: 51.9093 cm^3
• Polarizability: 18.997747 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%