9-methyl-9H-carbazol-3-amine

• ChemBase ID: 115204
• Molecular Formular: C13H12N2
• Molecular Mass: 196.24778
• Monoisotopic Mass: 196.10004839
• SMILES: n1(c2c(c3c1cccc3)cc(cc2)N)C
• Canonical SMILES: Nc1ccc2c(c1)c1ccccc1n2C
• InChI: InChI=1S/C13H12N2/c1-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-8H,14H2,1H3
• InChIKey: AIMXMLCYGWOKDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-9H-carbazol-3-amine
• IUPAC Traditional name: 9-methylcarbazol-3-amine
• Synonyms: 9-methyl-9H-carbazol-3-amine

Database IDs

• MDL Number: MFCD01752023
• PubChem SID: 162099985
• PubChem CID: 44666

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4817152
• LogD (pH = 7.4): 2.4855862
• Log P: 2.4856358
• Molar Refractivity: 63.0693 cm^3
• Polarizability: 26.145206 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.462

Product Information

• Purity: 95+%