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Home > Indoles and Oxindole > 109847-05-4
109847-05-4 | 2H-Pyrido[3,4-b]indole, 1,2-dimethyl-
CAS No: 109847-05-4 Catalog No: AG0084UE MDL No:
Product Description
Catalog Number:
AG0084UE
Chemical Name:
2H-Pyrido[3,4-b]indole, 1,2-dimethyl-
CAS Number:
109847-05-4
Molecular Formula:
C13H12N2
Molecular Weight:
196.2478
IUPAC Name:
1,2-dimethylpyrido[3,4-b]indole
InChI:
InChI=1S/C13H12N2/c1-9-13-11(7-8-15(9)2)10-5-3-4-6-12(10)14-13/h3-8H,1-2H3
InChI Key:
WURQJRLLMSPUST-UHFFFAOYSA-N
SMILES:
Cn1ccc2c(c1C)nc1c2cccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.253g/mol
Monoisotopic Mass:
196.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Impact of NAD(P)H:quinone oxidoreductase-1 on pigmentation. | The Journal of investigative dermatology 20100301 |
| Pi-delocalized beta-carbolinium cations as potential antimalarials. | Bioorganic & medicinal chemistry letters 20040405 |
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