| CAS Number | 1235440-77-3 |
| Catalog Number | AG00HHBP(AGN-PC-0WC997) |
| Chemical Name | 4-(1H-imidazol-2-yl)aniline dihydrochloride |
| IUPAC Name | 4-(1H-imidazol-2-yl)aniline;dihydrochloride |
| InChI | InChI=1S/C9H9N3.2ClH/c10-8-3-1-7(2-4-8)9-11-5-6-12-9;;/h1-6H,10H2,(H,11,12);2*1H |
| InChI Key | CBRSTVXMDJKRRF-UHFFFAOYSA-N |
| MDL Number | MFCD16040008 |
| Molecular Formula | C9H11Cl2N3 |
| Molecular Weight | 232.1097 |
| SMILES | C1(C2C=CC(=CC=2)N)NC=CN=1.Cl.Cl |
| Synonyms | 4-(1H-imidazol-2-yl)aniline dihydrochloride,
1235440-77-3,
[4-(1H-Imidazol-2-yl)phenyl]amine dihydrochloride,
AC1Q3ARR,
SCHEMBL8534775,
MFCD16040008,
AKOS027448050,
MCULE-2922864977,
NE15900,
EN300-60877,
4-(1H-Imidazol-2-yl)aniline dihydrochloride, AldrichCPR,
13682-33-2,
|
| Complexity | 141 |
| 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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