| CAS Number | 104391-26-6 |
| Catalog Number | AG008TOM(AGN-PC-0OTAUA) |
| Chemical Name | CGP 25454A |
| IUPAC Name | 4-chloro-5-cyano-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride |
| InChI | InChI=1S/C15H20ClN3O2.ClH/c1-4-19(5-2)7-6-18-15(20)12-8-11(10-17)13(16)9-14(12)21-3;/h8-9H,4-7H2,1-3H3,(H,18,20);1H |
| InChI Key | ZETCQNUMZFZSLJ-UHFFFAOYSA-N |
| MDL Number | MFCD30343854 |
| Molecular Formula | C15H21Cl2N3O2 |
| Molecular Weight | 346.2521 |
| SMILES | C(NCCN(CC)CC)(=O)C1=CC(C#N)=C(Cl)C=C1OC.[H]Cl |
| Synonyms | CGP 25454A,
CGP-25454A,
N-(diethylaminoethyl)-4-chloro-5-cyano-2-methoxybenzamide hydrochloride,
CGP 25454A,
CGP-25454A,
104391-26-6,
ZETCQNUMZFZSLJ-UHFFFAOYSA-N,
SCHEMBL10656331,
AKOS032945055,
CS-5748,
HY-100454,
4-chloro-5-cyano-N-(2-diethylaminoethyl)-2-methoxybenzamide hydrochloride,
N-(diethylamino-ethyl)-4-chloro-5-cyano-2-methoxy-benzamide-hydrochloride,
CID9819590,
4-chloro-5-cyano-N-(2-diethylaminoethyl)-2-methoxy-benzamide Hydrochloride,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.252g/mol |
| Monoisotopic Mass | 345.101g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 65.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number