9H-carbazol-3-ylmethanamine

• ChemBase ID: 115206
• Molecular Formular: C13H12N2
• Molecular Mass: 196.24778
• Monoisotopic Mass: 196.10004839
• SMILES: [nH]1c2c(c3c1cccc3)cc(cc2)CN
• Canonical SMILES: NCc1ccc2c(c1)c1ccccc1[nH]2
• InChI: InChI=1S/C13H12N2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7,15H,8,14H2
• InChIKey: AYZJZUJDZLZKJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-carbazol-3-ylmethanamine
• IUPAC Traditional name: 9H-carbazol-3-ylmethanamine
• Synonyms: (9H-carbazol-3-ylmethyl)amine

Database IDs

• MDL Number: MFCD09743120
• PubChem SID: 162099995
• PubChem CID: 42281639

CALCULATED PROPERTIES

• Acid pKa: 14.945572
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.76016766
• LogD (pH = 7.4): 0.25850087
• Log P: 2.216654
• Molar Refractivity: 61.9456 cm^3
• Polarizability: 26.663221 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.0

Product Information

• Purity: 95+%