BMMCBZ2On016
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|SysName=2-Methyl-benzene-acetonitrile | |SysName=2-Methyl-benzene-acetonitrile | ||
Revision as of 09:00, 1 October 2008
| Basic Metabolism Top (代謝トップ) |
Molecule Index (化合物索引) |
EC classes ( EC分類) |
Input New Data (新規入力) |
Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 : BMMCBZ benzene ring ベンゼン環 : BMMCBZ2O 2 substitutions (ortho) (38 pages)
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 22364-68-7 |
| KEGG | C02596 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ2On016.mol |
| Tolylacetonitrile | |
|---|---|
| |
| Structural Information | |
| Systematic Name | 2-Methyl-benzene-acetonitrile |
| Common Name |
|
| Symbol | |
| Formula | C9H9N |
| Exact Mass | 131.0734 |
| Average Mass | 131.1745 |
| SMILES | N#CCc(c1)c(C)ccc1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
