Cas no 132994-27-5 ( )
structure
Product Name:
CAS No:132994-27-5
MF:C12H11N3O
MW:213.235242128372
CID:879394
PubChem ID:744296
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-Ethoxy-5H-pyrimido[5,4-b]indole
- 5H-Pyrimido[5,4-b]indole,4-ethoxy-(9CI)
- 4-ethoxypyridine N-oxide perchlorate
- 4-ethoxypyrimido< 5,4-b> indole
- ACMC-20n0am
- CTK0F0631
- Pyridine, 4-ethoxy-, 1-oxide, perchlorate
-
-
- Inchi： 1S/C12H11N3O/c1-2-16-12-11-10(13-7-14-12)8-5-3-4-6-9(8)15-11/h3-7,15H,2H2,1H3
- InChI Key： YFNDBQRUAGEFCV-UHFFFAOYSA-N
- SMILES： O(CC)C1C2=C(C3C=CC=CC=3N2)N=CN=1
Computed Properties
- Exact Mass: 213.09033
- Monoisotopic Mass: 213.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 248
- 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: 50.8?2
Experimental Properties
- PSA: 50.8
Related Literature
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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