| CAS Number | 102636-74-8 |
| Catalog Number | AG01DZDG(AGN-PC-0ORPRB) |
| Chemical Name | CINPA1 |
| IUPAC Name | ethyl N-[11-[2-(diethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate |
| InChI | InChI=1S/C23H29N3O3/c1-4-25(5-2)16-22(27)26-20-10-8-7-9-17(20)11-12-18-13-14-19(15-21(18)26)24-23(28)29-6-3/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,24,28) |
| InChI Key | AYQBYSPEGRYKFA-UHFFFAOYSA-N |
| MDL Number | MFCD00288296 |
| Molecular Formula | C23H29N3O3 |
| Molecular Weight | 395.4947 |
| SMILES | O=C(OCC)NC1=CC=C2C(N(C(CN(CC)CC)=O)C3=CC=CC=C3CC2)=C1 |
| Synonyms | CHEMBL1622371,
102636-74-8,
Ethyl [5-[(diethylamino)acetyl]-10,11-dihydro-5H-dibenz[b,f]azepin-3-yl]carbamate,
BAS 01947601,
CINPA1,
AC1LJ6QH,
CINPA 1,
ChemDiv1_024334,
SCHEMBL19224984,
HMS656C02,
ZINC599600,
BDBM50146405,
AKOS000548683,
NCGC00245317-01,
AYQBYSPEGRYKFA-UHFFFAOYSA-N,
CID969470,
ethyl N-[11-[2-(diethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate,
|
| Complexity | 552 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 395.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.503g/mol |
| Monoisotopic Mass | 395.221g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 61.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number