| CAS Number | 190900-20-0 |
| Catalog Number | AG00I2TM(AGN-PC-00X7VF) |
| Chemical Name | 1,4-Diazepan-5-one acetate |
| IUPAC Name | acetic acid;1,4-diazepan-5-one |
| InChI | InChI=1S/C5H10N2O.C2H4O2/c8-5-1-2-6-3-4-7-5;1-2(3)4/h6H,1-4H2,(H,7,8);1H3,(H,3,4) |
| InChI Key | WDCHTLQVOSCJSJ-UHFFFAOYSA-N |
| MDL Number | MFCD08262831 |
| Molecular Formula | C7H14N2O3 |
| Molecular Weight | 174.1977 |
| SMILES | CC(O)=O.O=C1NCCNCC1 |
| Synonyms | 1,4-diazepan-5-one; acetic acid,
1,4-diazepan-5-one acetate,
hexahydro-(5h)-1,4-diazepin-5-one acetic acid salt,
34376-54-0,
190900-20-0,
AC1Q2BQ3,
SCHEMBL7682459,
WDCHTLQVOSCJSJ-UHFFFAOYSA-N,
AKOS001287910,
NE57389,
EN300-12893,
5H-1,4-Diazepin-5-one, hexahydro-, monoacetate,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.2g/mol |
| Monoisotopic Mass | 174.1g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number