| CAS Number | 1543092-05-2 |
| Catalog Number | AG01AFJU(AGN-PC-0WOWCV) |
| Chemical Name | 1-Ethyl-1,4-diazepan-2-one |
| IUPAC Name | 1-ethyl-1,4-diazepan-2-one |
| InChI | InChI=1S/C7H14N2O/c1-2-9-5-3-4-8-6-7(9)10/h8H,2-6H2,1H3 |
| InChI Key | BIPQQKHLEJGBIJ-UHFFFAOYSA-N |
| MDL Number | MFCD21296102 |
| Molecular Formula | C7H14N2O |
| Molecular Weight | 142.1989 |
| SMILES | CCN1C(=O)CNCCC1 |
| Synonyms | 1-ethyl-1,4-diazepan-2-one,
1543092-05-2,
1-Ethyl-[1,4]diazepan-2-one,
ZINC23704307,
AKOS014698050,
NE26097,
A1-02007,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.202g/mol |
| Monoisotopic Mass | 142.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number