| CAS Number | 29528-25-4 |
| Catalog Number | AG002YN1(AGN-PC-00PZAU) |
| Chemical Name | 2-(1H-Imidazol-2-yl)aniline |
| IUPAC Name | 2-(1H-imidazol-2-yl)aniline |
| InChI | InChI=1S/C9H9N3/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-6H,10H2,(H,11,12) |
| InChI Key | OHXHFXHOPMUAAK-UHFFFAOYSA-N |
| MDL Number | MFCD08668827 |
| Molecular Formula | C9H9N3 |
| Molecular Weight | 159.1879 |
| SMILES | NC1=CC=CC=C1C2=NC=CN2 |
| Synonyms | 2-(1H-Imidazol-2-yl)aniline,
29528-25-4,
2-(2-Imidazolyl)aniline,
Benzenamine, 2-(1H-imidazol-2-yl)-,
2-(2-aminophenyl)-1H-imidazole,
SCHEMBL82259,
2-(1H-Imidazole-2-yl)aniline,
2-(1h-imidazol-2-yl)-aniline,
CTK0I4611,
DTXSID60575880,
OHXHFXHOPMUAAK-UHFFFAOYSA-N,
2-(1H-imidazol-2-yl)-phenylamine,
ZINC34612249,
AKOS008146901,
MCULE-7929059636,
NE45936,
AJ-89744,
DB-068132,
FT-0716253,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.192g/mol |
| Monoisotopic Mass | 159.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number