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Home > Indoles and Oxindole > 20127-61-1
20127-61-1 | 9H-Pyrido[3,4-b]indole, 1-ethyl-
CAS No: 20127-61-1 Catalog No: AG002DAI MDL No:
Product Description
Catalog Number:
AG002DAI
Chemical Name:
9H-Pyrido[3,4-b]indole, 1-ethyl-
CAS Number:
20127-61-1
Molecular Formula:
C13H12N2
Molecular Weight:
196.2478
IUPAC Name:
1-ethyl-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3
InChI Key:
YTQRHYCHEIXUIU-UHFFFAOYSA-N
SMILES:
CCc1nccc2c1[nH]c1c2cccc1
UNII:
K98LP3Z6TC
Properties
Complexity:
229
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:
1
Isotope Atom Count:
0
Molecular Weight:
196.253g/mol
Monoisotopic Mass:
196.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| 5-Bromo-8-methoxy-1-methyl-beta-carboline, an alkaloid from the New Zealand marine bryozoan Pterocella vesiculosa. | Journal of natural products 20090401 |
| 3D and quantum QSAR of non-benzodiazepine compounds. | European journal of medicinal chemistry 20081101 |
| Quantitative structure-activity relationship studies of a series of non-benzodiazepine structural ligands binding to benzodiazepine receptor. | European journal of medicinal chemistry 20080701 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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