| CAS Number | 1171206-49-7 |
| Catalog Number | AG019N5L |
| Chemical Name | N-Phenyl-1,4-diazepane-1-carboxamide hydrochloride |
| IUPAC Name | N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride |
| InChI | InChI=1S/C12H17N3O.ClH/c16-12(14-11-5-2-1-3-6-11)15-9-4-7-13-8-10-15;/h1-3,5-6,13H,4,7-10H2,(H,14,16);1H |
| InChI Key | KGLVELYAJMJVNI-UHFFFAOYSA-N |
| MDL Number | MFCD11505444 |
| Molecular Formula | C12H18ClN3O |
| Molecular Weight | 255.7438 |
| SMILES | Cl.O=C(N1CCNCCC1)NC1=CC=CC=C1 |
| Synonyms | N-phenyl-1,4-diazepane-1-carboxamide hydrochloride,
1171206-49-7,
CTK7G3619,
MCULE-1480731666,
NE15158,
EN300-39450,
A1-07927,
AC1Q3E2P,
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.11384g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.74g/mol |
| Monoisotopic Mass | 255.11384g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number