| CAS Number | 251310-53-9 |
| Catalog Number | AG00IMVZ(AGN-PC-0WAPD3) |
| Chemical Name | 2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetohydrazide |
| IUPAC Name | 2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetohydrazide |
| InChI | InChI=1S/C13H16N4O3/c14-15-13(18)9-10-5-7-16(8-6-10)11-1-3-12(4-2-11)17(19)20/h1-4,9H,5-8,14H2,(H,15,18) |
| InChI Key | QMDKUTCELXBNDR-UHFFFAOYSA-N |
| MDL Number | MFCD00180778 |
| Molecular Formula | C13H16N4O3 |
| Molecular Weight | 276.2911 |
| SMILES | NNC(=O)C=C1CCN(CC1)c1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 251310-53-9,
2-[1-(4-nitrophenyl)-4-piperidinylidene]acetohydrazide,
2-[1-(4-nitrophenyl)piperidin-4-ylidene]acetohydrazide,
AC1MCATH,
Oprea1_403725,
SCHEMBL13027430,
KS-00001QOW,
ZINC4002053,
AKOS005074555,
MCULE-7809257443,
10G-958,
ZINC04002053,
CID2765119,
|
| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.296g/mol |
| Monoisotopic Mass | 276.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number