| CAS Number | 185815-56-9 |
| Catalog Number | AG00AE80(AGN-PC-0O5GD2) |
| Chemical Name | 2,4-Dicyano-3-(2-methylpropyl)-pentanediamide (Mixture of Diastereomers) |
| IUPAC Name | 2,4-dicyano-3-(2-methylpropyl)pentanediamide |
| InChI | InChI=1S/C11H16N4O2/c1-6(2)3-7(8(4-12)10(14)16)9(5-13)11(15)17/h6-9H,3H2,1-2H3,(H2,14,16)(H2,15,17) |
| InChI Key | WQVNYCULJRPXJR-UHFFFAOYSA-N |
| MDL Number | MFCD31563120 |
| Molecular Formula | C11H16N4O2 |
| Molecular Weight | 236.2703 |
| SMILES | NC(C(C#N)C(CC(C)C)C(C(N)=O)C#N)=O |
| Synonyms | 185815-56-9,
2,4-Dicyano-3-(2-methylpropyl)-pentanediamide,
2,4-dicyano-3-isobutylpentanediamide,
2,4-Dicyano-3-(2-methylpropyl)pentanediamide,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.275g/mol |
| Monoisotopic Mass | 236.127g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number