| CAS Number | 384832-05-7 |
| Catalog Number | AG00CMMH(AGN-PC-0WO2S3) |
| Chemical Name | 1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one |
| IUPAC Name | 5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one |
| InChI | InChI=1S/C10H12N2O/c1-12-9-5-3-2-4-8(9)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3 |
| InChI Key | IWHJGOLLYAXMLD-UHFFFAOYSA-N |
| MDL Number | MFCD19686350 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.2151 |
| SMILES | CN1C2=C(C=CC=C2)NCCC1=O |
| Synonyms | 384832-05-7,
1-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one,
4,5-dihydro-1-methyl-1H-benzo[b][1,4]diazepin-2(3H)-one,
SCHEMBL5230478,
IWHJGOLLYAXMLD-UHFFFAOYSA-N,
ZINC68576451,
AKOS022769705,
EN300-81793,
Z1891775677,
1-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.219g/mol |
| Monoisotopic Mass | 176.095g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number