| CAS Number | 1955498-88-0 |
| Catalog Number | AG01B5K2 |
| Chemical Name | 1-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one hydrochloride |
| IUPAC Name | 1-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one;hydrochloride |
| InChI | InChI=1S/C10H12N2O.ClH/c1-12-9-5-3-2-4-8(9)6-11-7-10(12)13;/h2-5,11H,6-7H2,1H3;1H |
| InChI Key | SFWNDWUIMKDXKM-UHFFFAOYSA-N |
| MDL Number | MFCD30181114 |
| Molecular Formula | C10H13ClN2O |
| Molecular Weight | 212.6760 |
| SMILES | Cl.CN1C2=C(C=CC=C2)CNCC1=O |
| Synonyms | 1-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one hydrochloride,
1955498-88-0,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.677g/mol |
| Monoisotopic Mass | 212.072g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number