| CAS Number | 747411-53-6 |
| Catalog Number | AG00FC6E |
| Chemical Name | 4-(2-cyanoacetamido)-N,N-dimethylbenzamide |
| IUPAC Name | 4-[(2-cyanoacetyl)amino]-N,N-dimethylbenzamide |
| InChI | InChI=1S/C12H13N3O2/c1-15(2)12(17)9-3-5-10(6-4-9)14-11(16)7-8-13/h3-6H,7H2,1-2H3,(H,14,16) |
| InChI Key | YDQAREMCYDXCBC-UHFFFAOYSA-N |
| MDL Number | MFCD05270918 |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.2505 |
| SMILES | O=C(N(C)C)C1=CC=C(NC(CC#N)=O)C=C1 |
| Synonyms | 4-[(cyanoacetyl)amino]-N,N-dimethylbenzamide,
4-(2-cyanoacetamido)-N,N-dimethylbenzamide,
747411-53-6,
EN300-09556,
AC1M1RSP,
AC1Q3VY9,
CTK6H9023,
ZINC2641180,
AKOS027427131,
MCULE-4136139353,
NE19716,
NCGC00334814-01,
4-[(2-cyanoacetyl)amino]-N,N-dimethylbenzamide,
AB01327496-02,
J-514210,
Z32014149,
ZINC02641180,
CID2104076,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.255g/mol |
| Monoisotopic Mass | 231.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number