| CAS Number | 854602-59-8 |
| Catalog Number | AG01B698(AGN-PC-03XHBY) |
| Chemical Name | 4-[(1H-Imidazol-1-yl)amino]benzonitrile |
| IUPAC Name | 4-(imidazol-1-ylamino)benzonitrile |
| InChI | InChI=1S/C10H8N4/c11-7-9-1-3-10(4-2-9)13-14-6-5-12-8-14/h1-6,8,13H |
| InChI Key | SXZMBWGWQLDSAY-UHFFFAOYSA-N |
| MDL Number | MFCD30342785 |
| Molecular Formula | C10H8N4 |
| Molecular Weight | 184.1973 |
| SMILES | N#CC1=CC=C(NN2C=NC=C2)C=C1 |
| Synonyms | 4-[(1H-imidazol-1-yl)amino]benzonitrile,
854602-59-8,
SCHEMBL5443725,
SXZMBWGWQLDSAY-UHFFFAOYSA-N,
ZINC139045514,
4[n-(1h-imidazol-1-yl)amino]benzonitrile,
4-[N-(1H-imidazol-1-yl)amino]benzonitrile,
4-((1H-imidazol-1-yl)amino)benzonitrile,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.202g/mol |
| Monoisotopic Mass | 184.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number