| CAS Number | 917207-79-5 |
| Catalog Number | AG006E49(AGN-PC-0WB3WH) |
| Chemical Name | 1-Ethyl-2-methyl-1H-indole-3-carbonitrile |
| IUPAC Name | 1-ethyl-2-methylindole-3-carbonitrile |
| InChI | InChI=1S/C12H12N2/c1-3-14-9(2)11(8-13)10-6-4-5-7-12(10)14/h4-7H,3H2,1-2H3 |
| InChI Key | GISWIGCXCMKUMW-UHFFFAOYSA-N |
| MDL Number | MFCD09723015 |
| Molecular Formula | C12H12N2 |
| Molecular Weight | 184.2371 |
| SMILES | C1(C#N)C2C=CC=CC=2N(CC)C=1C |
| Synonyms | 1-ETHYL-2-METHYL-1H-INDOLE-3-CARBONITRILE,
917207-79-5,
CTK5H0386,
DTXSID10627585,
ZX-CM005781,
FCH869212,
MFCD09723015,
ZINC11805035,
AKOS006329991,
AJ-60200,
Y-5357,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.242g/mol |
| Monoisotopic Mass | 184.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number