| CAS Number | 1343572-05-3 |
| Catalog Number | AG01A2CX |
| Chemical Name | 1-acetyl-1,4-diazepan-5-one |
| IUPAC Name | 1-acetyl-1,4-diazepan-5-one |
| InChI | InChI=1S/C7H12N2O2/c1-6(10)9-4-2-7(11)8-3-5-9/h2-5H2,1H3,(H,8,11) |
| InChI Key | VBHHQCFPKDZJGQ-UHFFFAOYSA-N |
| MDL Number | MFCD17258120 |
| Molecular Formula | C7H12N2O2 |
| Molecular Weight | 156.1824 |
| SMILES | CC(N1CCC(=O)NCC1)=O |
| Synonyms | 1-acetyl-1,4-diazepan-5-one,
1343572-05-3,
SCHEMBL16751026,
ZINC59939376,
AKOS009106500,
NE60736,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.185g/mol |
| Monoisotopic Mass | 156.09g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
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Certificate of Analysis
Lot Number