9H-carbazol-3-amine

• ChemBase ID: 16801
• Molecular Formular: C12H10N2
• Molecular Mass: 182.2212
• Monoisotopic Mass: 182.08439833
• SMILES: c12c3c([nH]c1cccc2)ccc(c3)N
• Canonical SMILES: Nc1ccc2c(c1)c1ccccc1[nH]2
• InChI: InChI=1S/C12H10N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H,13H2
• InChIKey: LRSYZHFYNDZXMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-carbazol-3-amine
• IUPAC Traditional name: 9H-carbazol-3-amine
• Synonyms: 9H-Carbazol-3-ylamine

Database IDs

• CAS Number: 6377-12-4
• MDL Number: MFCD00022213
• PubChem SID: 160980108
• PubChem CID: 44621

CALCULATED PROPERTIES

• Acid pKa: 15.672182
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.2580452
• LogD (pH = 7.4): 2.2619102
• Log P: 2.2619598
• Molar Refractivity: 58.1726 cm^3
• Polarizability: 24.391006 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.072

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%