| CAS Number | 1040064-24-1 |
| Catalog Number | AG01AHFH |
| Chemical Name | N-(3-nitro-1,4-dihydropyridin-4-ylidene)-1-(oxolan-2-yl)methanamine |
| IUPAC Name | 3-nitro-N-(oxolan-2-ylmethyl)pyridin-4-amine |
| InChI | InChI=1S/C10H13N3O3/c14-13(15)10-7-11-4-3-9(10)12-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H,11,12) |
| InChI Key | HECKSMIQBAMODJ-UHFFFAOYSA-N |
| MDL Number | MFCD26143799 |
| Molecular Formula | C10H13N3O3 |
| Molecular Weight | 223.2285 |
| SMILES | [O-][N+](C1C(=NCC2OCCC2)C=CNC=1)=O |
| Synonyms | 1040064-24-1,
3-nitro-N-(oxolan-2-ylmethyl)-1,4-dihydropyridin-4-imine,
AKOS008116007,
AKOS030666478,
NE24862,
EN300-74516,
3-nitro-N-(oxolan-2-ylmethyl)pyridin-4-amine,
Z1259155949,
N-(3-nitro-1,4-dihydropyridin-4-ylidene)-1-(oxolan-2-yl)methanamine,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.232g/mol |
| Monoisotopic Mass | 223.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number