| CAS Number | 1609403-22-6 |
| Catalog Number | AG00HYML(AGN-PC-0WCU5R) |
| Chemical Name | 1-acetyl-1,4-diazepan-6-ol hydrobromide |
| IUPAC Name | 1-(6-hydroxy-1,4-diazepan-1-yl)ethanone;hydrobromide |
| InChI | InChI=1S/C7H14N2O2.BrH/c1-6(10)9-3-2-8-4-7(11)5-9;/h7-8,11H,2-5H2,1H3;1H |
| InChI Key | AAJYFJNZSHJPOT-UHFFFAOYSA-N |
| MDL Number | MFCD27995985 |
| Molecular Formula | C7H15BrN2O2 |
| Molecular Weight | 239.1102 |
| SMILES | N1(CCNCC(O)C1)C(C)=O.Br |
| Synonyms | 1-ACETYL-1,4-DIAZEPAN-6-OL HYDROBROMIDE,
1609403-22-6,
ZX-CM010866,
MFCD27995985,
AKOS030235786,
T6040,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.113g/mol |
| Monoisotopic Mass | 238.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number