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614-96-0 | 5-Methylindole
CAS No: 614-96-0 Catalog No: AG003MW6 MDL No:MFCD00005680
Product Description
Catalog Number:
AG003MW6
Chemical Name:
5-Methylindole
CAS Number:
614-96-0
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00005680
IUPAC Name:
5-methyl-1H-indole
InChI:
InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
InChI Key:
YPKBCLZFIYBSHK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc[nH]2
EC Number:
210-400-9
UNII:
KT52363RI5
NSC Number:
522562
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| The alternating access mechanism of transport as observed in the sodium-hydantoin transporter Mhp1. | Journal of synchrotron radiation 20110101 |
| Molecular dynamics simulations reveal that AEDANS is an inert fluorescent probe for the study of membrane proteins. | European biophysics journal : EBJ 20100101 |
| An odorant receptor from the southern house mosquito Culex pipiens quinquefasciatus sensitive to oviposition attractants. | PloS one 20100101 |
| Biological targets for isatin and its analogues: Implications for therapy. | Biologics : targets & therapy 20070601 |
| 1H NMR spectral studies on the polymerization mechanism of indole and its derivatives. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060301 |
| Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination. | Science (New York, N.Y.) 20050930 |
| Synthesis of tripeptides as potent Yersinia protein tyrosine phosphatase inhibitors. | Bioorganic & medicinal chemistry letters 20050915 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
| Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis. | Journal of medicinal chemistry 20040603 |
| Mass analyzed threshold ionization spectroscopy of 5-methylindole and 3-methylindole cations and the methyl substitution effect. | The Journal of chemical physics 20040315 |
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