Cas no 23989-28-8 (Pyrimido[1,6-a]indole)
![Pyrimido[1,6-a]indole structure](https://ossimg.kuujia.com/scimg/24000/23989-28-8x500.png)
Pyrimido[1,6-a]indole structure
Product Name:Pyrimido[1,6-a]indole
CAS No:23989-28-8
MF:C11H8N2
MW:168.194622039795
CID:238618
PubChem ID:13143756
Update Time:2025-04-19
Pyrimido[1,6-a]indole Chemical and Physical Properties
Names and Identifiers
-
- Pyrimido[1,6-a]indole
- 23989-28-8
- pyrimido[3,4-a]indole
- SCHEMBL5509760
- DTXSID00521548
-
- Inchi： 1S/C11H8N2/c1-2-4-11-9(3-1)7-10-5-6-12-8-13(10)11/h1-8H
- InChI Key： WDCPLBSPKVCZDV-UHFFFAOYSA-N
- SMILES： N12C=NC=CC1=CC1C=CC=CC2=1
Computed Properties
- Exact Mass: 168.06884
- Monoisotopic Mass: 168.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 193
- 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: 2.4
- Topological Polar Surface Area: 17.3?2
Experimental Properties
- PSA: 17.3
Pyrimido[1,6-a]indole Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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