9H-carbazole-3,6-diamine

• ChemBase ID: 798715
• Molecular Formular: C12H11N3
• Molecular Mass: 197.23584
• Monoisotopic Mass: 197.09529737
• SMILES: c1c(cc2c(c1)[nH]c1ccc(cc21)N)N
• Canonical SMILES: Nc1ccc2c(c1)c1cc(N)ccc1[nH]2
• InChI: InChI=1S/C12H11N3/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H,13-14H2
• InChIKey: YCZUWQOJQGCZKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-carbazole-3,6-diamine
• IUPAC Traditional name: 9H-carbazole-3,6-diamine
• Synonyms: 3,6-diaminocarbazole

Database IDs

• CAS Number: 86-71-5

CALCULATED PROPERTIES

• Acid pKa: 16.317171
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 1.3730843
• LogD (pH = 7.4): 1.4322265
• Log P: 1.4330338
• Molar Refractivity: 62.873 cm^3
• Polarizability: 25.459486 Å^3
• Polar Surface Area: 67.83 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%