Cas no 91985-81-8 (3-ethoxy-9H-Pyrido[3,4-b]indole)
91985-81-8 structure
Product Name:3-ethoxy-9H-Pyrido[3,4-b]indole
CAS No:91985-81-8
MF:C13H12N2O
MW:212.247182846069
CID:807200
PubChem ID:124477
Update Time:2025-04-19
3-ethoxy-9H-Pyrido[3,4-b]indole Chemical and Physical Properties
Names and Identifiers
-
- 3-ethoxy-9H-Pyrido[3,4-b]indole
- 3-ethoxy-beta-carboline
- CHEMBL299250
- FNNPSIGQQWCKKB-UHFFFAOYSA-N
- BDBM50244034
- BDBM50001475
- PDSP1_001751
- CHEMBL498936
- PDSP2_001734
- PD181372
- SCHEMBL9531510
- 9H-Pyrido(3,4-b)indole, 3-ethoxy-
- DTXSID10919417
- 3-Ethoxy-9H-beta-carboline(3-EBC)
- 91985-81-8
- 3-Ethoxy-9H-beta-carboline
-
- Inchi: 1S/C13H12N2O/c1-2-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14-13/h3-8,15H,2H2,1H3
- InChI Key: FNNPSIGQQWCKKB-UHFFFAOYSA-N
- SMILES: O(CC)C1=CC2=C(C=N1)NC1C=CC=CC2=1
Computed Properties
- Exact Mass: 212.094963011g/mol
- Monoisotopic Mass: 212.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 246
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 37.9?2
3-ethoxy-9H-Pyrido[3,4-b]indole Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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