| CAS Number | 1354951-51-1 |
| Catalog Number | AG019PRN(AGN-PC-0WO2Z6) |
| Chemical Name | 1,3-Dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one |
| IUPAC Name | 3,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one |
| InChI | InChI=1S/C11H14N2O/c1-8-7-12-9-5-3-4-6-10(9)13(2)11(8)14/h3-6,8,12H,7H2,1-2H3 |
| InChI Key | OTZSLLCDQMWOKG-UHFFFAOYSA-N |
| MDL Number | MFCD20441546 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.2417 |
| SMILES | CC1C(=O)N(C)C2=C(C=CC=C2)NC1 |
| Synonyms | 1,3-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one,
1354951-51-1,
AKOS022770541,
MCULE-8291404604,
NE52201,
EN300-86162,
Z1259339801,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.246g/mol |
| Monoisotopic Mass | 190.111g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number