| CAS Number | 1612756-29-2 |
| Catalog Number | AG01CBN8(AGN-PC-0WH5R6) |
| Chemical Name | 2-(azidomethyl)-3-(1H-imidazole-1-carbonyl)pyridine |
| IUPAC Name | [2-(azidomethyl)pyridin-3-yl]-imidazol-1-ylmethanone |
| InChI | InChI=1S/C10H8N6O/c11-15-14-6-9-8(2-1-3-13-9)10(17)16-5-4-12-7-16/h1-5,7H,6H2 |
| InChI Key | QPSQVTFTPHUCEH-UHFFFAOYSA-N |
| MDL Number | MFCD31560475 |
| Molecular Formula | C10H8N6O |
| Molecular Weight | 228.2101 |
| SMILES | [N-]=[N+]=NCC1=C(C(N2C=NC=C2)=O)C=CC=N1 |
| Synonyms | NAI-N3,
1612756-29-2,
NAI 1,
CS-7656,
HY-103006,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.215g/mol |
| Monoisotopic Mass | 228.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number