| CAS Number | 21864-76-6 |
| Catalog Number | AG006YZQ(AGN-PC-0LW6RJ) |
| Chemical Name | 2-Ethyl-2-methylbutanenitrile |
| IUPAC Name | 2-ethyl-2-methylbutanenitrile |
| InChI | InChI=1S/C7H13N/c1-4-7(3,5-2)6-8/h4-5H2,1-3H3 |
| InChI Key | SVVQGVDNIZXKCN-UHFFFAOYSA-N |
| MDL Number | MFCD00055633 |
| Molecular Formula | C7H13N |
| Molecular Weight | 111.1848 |
| SMILES | CCC(C#N)(CC)C |
| Synonyms | 21864-76-6,
2-ETHYL-2-METHYLBUTYRONITRILE,
2-ethyl-2-methylbutanenitrile,
2-ethyl-2-methyl-butanenitrile,
Methyldiaethylessigsaurenitril,
2-ethyl-2-methyl-butyronitrile,
SCHEMBL7821165,
CTK1A7879,
DTXSID50426751,
ZINC2516103,
MFCD00055633,
AKOS006230185,
I14-112746,
Z2760930361,
ZINC02516103,
CID7015680,
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| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.188g/mol |
| Monoisotopic Mass | 111.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number