| CAS Number | 666698-08-4 |
| Catalog Number | AG00J2MT(AGN-PC-0WB631) |
| Chemical Name | 3-Nitro-N-(2-(pyridin-2-yl)ethyl)pyridin-2-amine |
| IUPAC Name | 3-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine |
| InChI | InChI=1S/C12H12N4O2/c17-16(18)11-5-3-8-14-12(11)15-9-6-10-4-1-2-7-13-10/h1-5,7-8H,6,9H2,(H,14,15) |
| InChI Key | RZKQTEUJVPKLDG-UHFFFAOYSA-N |
| MDL Number | MFCD00120269 |
| Molecular Formula | C12H12N4O2 |
| Molecular Weight | 244.2493 |
| SMILES | [N+](=O)([O-])C1=CC=CN=C1NCCC1=CC=CC=N1 |
| Synonyms | 666698-08-4,
3-Nitro-N-[2-(2-pyridinyl)ethyl]-2-pyridinamine,
3-Nitro-N-(2-(pyridin-2-yl)ethyl)pyridin-2-amine,
3-nitro-N-(2-pyridin-2-ylethyl)pyridin-2-amine,
AC1MD2N8,
Oprea1_391338,
CCG-42293,
MFCD00120269,
ZINC20031400,
AKOS000915035,
MCULE-3438923698,
3-nitro-2-{[2-(2-pyridinyl)ethyl]amino}pyridine,
AI-204/31703060,
SR-01000632304-1,
CID2804769,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.254g/mol |
| Monoisotopic Mass | 244.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number