| CAS Number | 54824-37-2 |
| Catalog Number | AG00D92V(AGN-PC-0SHZGV) |
| Chemical Name | C.I. Disperse Yellow 49 |
| EC Number | 611-202-9 |
| IUPAC Name | 2-[4-(dicyanomethyl)-N-ethyl-3-methylanilino]ethyl N-phenylcarbamate |
| InChI | InChI=1S/C21H22N4O2/c1-3-25(11-12-27-21(26)24-18-7-5-4-6-8-18)19-9-10-20(16(2)13-19)17(14-22)15-23/h4-10,13,17H,3,11-12H2,1-2H3,(H,24,26) |
| InChI Key | YSOHRODHDJYIPG-UHFFFAOYSA-N |
| MDL Number | MFCD31672091 |
| Molecular Formula | C21H22N4O2 |
| Molecular Weight | 362.4250 |
| SMILES | N#CC(c1ccc(cc1C)N(CCOC(=O)Nc1ccccc1)CC)C#N |
| Synonyms | ZINC263619454,
54824-37-2,
T577,
Disperse Yellow 49,
C.I. Disperse Yellow 49,
C21H22N4O2,
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| Complexity | 553 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.433g/mol |
| Monoisotopic Mass | 362.174g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 89.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number