| CAS Number | 1258640-27-5 |
| Catalog Number | AG01AATJ(AGN-PC-0WCO39) |
| Chemical Name | 4-phenyl-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride |
| IUPAC Name | 5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride |
| InChI | InChI=1S/C13H15N3.2ClH/c1-2-5-10(6-3-1)12-9-15-13(16-12)11-7-4-8-14-11;;/h1-3,5-6,9,11,14H,4,7-8H2,(H,15,16);2*1H |
| InChI Key | UKFKTWLJAOZZPE-UHFFFAOYSA-N |
| MDL Number | MFCD17480426 |
| Molecular Formula | C13H17Cl2N3 |
| Molecular Weight | 286.2002 |
| SMILES | Cl.Cl.C1CC(C2NC=C(C3=CC=CC=C3)N=2)NC1 |
| Synonyms | 4-phenyl-2-pyrrolidin-2-yl-1H-imidazole dihydrochloride,
1258640-27-5,
4-phenyl-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride,
F2147-0975,
AC1Q3A46,
AKOS024397969,
MCULE-8138640719,
EN300-69524,
L-4294,
Z1172115915,
5-Phenyl-2-(pyrrolidin-2-yl)-1H-imidazole dihydrochloride,
5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride,
N/A,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.2g/mol |
| Monoisotopic Mass | 285.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number