tert-butyl 2-(3-amino-9H-carbazol-9-yl)acetate

• ChemBase ID: 117672
• Molecular Formular: C18H20N2O2
• Molecular Mass: 296.3636
• Monoisotopic Mass: 296.15247789
• SMILES: n1(c2c(c3c1cccc3)cc(cc2)N)CC(=O)OC(C)(C)C
• Canonical SMILES: Nc1ccc2c(c1)c1ccccc1n2CC(=O)OC(C)(C)C
• InChI: InChI=1S/C18H20N2O2/c1-18(2,3)22-17(21)11-20-15-7-5-4-6-13(15)14-10-12(19)8-9-16(14)20/h4-10H,11,19H2,1-3H3
• InChIKey: LHTXTTOUBQINDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(3-amino-9H-carbazol-9-yl)acetate
• IUPAC Traditional name: tert-butyl 2-(3-aminocarbazol-9-yl)acetate
• Synonyms: tert-butyl (3-amino-9H-carbazol-9-yl)acetate

Database IDs

• MDL Number: MFCD16653257
• PubChem SID: 162102309
• PubChem CID: 45496660

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1612632
• LogD (pH = 7.4): 3.163445
• Log P: 3.163473
• Molar Refractivity: 87.7286 cm^3
• Polarizability: 36.055332 Å^3
• Polar Surface Area: 57.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 4.441

Product Information

• Purity: 95+%