(9-ethyl-9H-carbazol-3-yl)methanamine

• ChemBase ID: 115205
• Molecular Formular: C15H16N2
• Molecular Mass: 224.30094
• Monoisotopic Mass: 224.13134852
• SMILES: n1(c2c(c3c1cccc3)cc(cc2)CN)CC
• Canonical SMILES: NCc1ccc2c(c1)c1ccccc1n2CC
• InChI: InChI=1S/C15H16N2/c1-2-17-14-6-4-3-5-12(14)13-9-11(10-16)7-8-15(13)17/h3-9H,2,10,16H2,1H3
• InChIKey: ZBQDOOFHOCKVEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9-ethyl-9H-carbazol-3-yl)methanamine
• IUPAC Traditional name: (9-ethylcarbazol-3-yl)methanamine
• Synonyms: C-(9-Ethyl-9H-carbazol-3-yl)-methylamine

Database IDs

• CAS Number: 322724-26-5
• MDL Number: MFCD08061541
• PubChem SID: 162099986
• PubChem CID: 10944107

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.17952535
• LogD (pH = 7.4): 0.84016395
• Log P: 2.7971382
• Molar Refractivity: 71.5909 cm^3
• Polarizability: 30.259127 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.731

Product Information

• Purity: 95+%