| CAS Number | 1197685-68-9 |
| Catalog Number | AG019WPT |
| Chemical Name | N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide hydrochloride |
| IUPAC Name | N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide;hydrochloride |
| InChI | InChI=1S/C12H16ClN3O.ClH/c13-10-2-4-11(5-3-10)15-12(17)16-8-1-6-14-7-9-16;/h2-5,14H,1,6-9H2,(H,15,17);1H |
| InChI Key | MQHUDQRGBKEHAP-UHFFFAOYSA-N |
| MDL Number | MFCD12913160 |
| Molecular Formula | C12H17Cl2N3O |
| Molecular Weight | 290.1889 |
| SMILES | Cl.ClC1=CC=C(NC(N2CCNCCC2)=O)C=C1 |
| Synonyms | N-(4-chlorophenyl)-1,4-diazepane-1-carboxamide hydrochloride,
1197685-68-9,
AC1Q3B9D,
CTK6H0573,
MCULE-3815531300,
NE35497,
EN300-52763,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.188g/mol |
| Monoisotopic Mass | 289.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number