| CAS Number | 1017021-83-8 |
| Catalog Number | AG019LO0 |
| Chemical Name | 3-(4-ethyl-2,3-dioxopiperazin-1-yl)propanenitrile |
| IUPAC Name | 3-(4-ethyl-2,3-dioxopiperazin-1-yl)propanenitrile |
| InChI | InChI=1S/C9H13N3O2/c1-2-11-6-7-12(5-3-4-10)9(14)8(11)13/h2-3,5-7H2,1H3 |
| InChI Key | ZGNWWXLBUULHHR-UHFFFAOYSA-N |
| MDL Number | MFCD09942989 |
| Molecular Formula | C9H13N3O2 |
| Molecular Weight | 195.2184 |
| SMILES | CCN1C(=O)C(=O)N(CCC#N)CC1 |
| Synonyms | 3-(4-ethyl-2,3-dioxopiperazin-1-yl)propanenitrile,
1017021-83-8,
EN300-31921,
CTK6F0106,
AC1Q3179,
ZINC13013702,
AKOS000186348,
BBV-079192,
FCH4922322,
MCULE-5587935518,
NE26957,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.222g/mol |
| Monoisotopic Mass | 195.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number