| CAS Number | 1258650-47-3 |
| Catalog Number | AG01A86X |
| Chemical Name | 3-(1H-imidazol-2-yl)aniline dihydrochloride |
| IUPAC Name | 3-(1H-imidazol-2-yl)aniline;dihydrochloride |
| InChI | InChI=1S/C9H9N3.2ClH/c10-8-3-1-2-7(6-8)9-11-4-5-12-9;;/h1-6H,10H2,(H,11,12);2*1H |
| InChI Key | XENSRULSKQVWTD-UHFFFAOYSA-N |
| MDL Number | MFCD17167110 |
| Molecular Formula | C9H11Cl2N3 |
| Molecular Weight | 232.1097 |
| SMILES | Cl.Cl.NC1=CC(C2NC=CN=2)=CC=C1 |
| Synonyms | 3-(1H-imidazol-2-yl)aniline dihydrochloride,
1258650-47-3,
AC1Q3ARI,
MCULE-6561126804,
NE19792,
EN300-60878,
Z1160899483,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.108g/mol |
| Monoisotopic Mass | 231.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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