1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride Hydrochloride - CAS 1453171-61-3
Catalog: |
BB061762 |
Product Name: |
1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride Hydrochloride |
CAS: |
1453171-61-3 |
Synonyms: |
1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride Hydrochloride; 1,3-Bis[2,6-di(propan-2-yl)phenyl]-1H-imidazole-1,3-diium; hydrochloride |
IUPAC Name: | 1,3-bis[2,6-di(propan-2-yl)phenyl]-1H-imidazole-1,3-diiumchloridehydrochloride |
Molecular Weight: | 461.51 |
Molecular Formula: | C27H38Cl2N2 |
Canonical SMILES: | CC(C)C1=C(C(=CC=C1)C(C)C)[NH+]2C=C[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.Cl.[Cl-] |
InChI: | InChI=1S/C27H37N2.2ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-21H,1-8H32*1H/q+1 |
InChI Key: | SQYNKOWNHQXLKW-UHFFFAOYSA-N |
Melting Point: | >240°C (dec.) |
Solubility: | Dichloromethane, Methanol, Water (Sparingly) |
Appearance: | Brown Solid |
Storage: | -20°C, Hygroscopic |
Complexity: | 553 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 461.2490296 |
Formal Charge: | 1 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 461.2490296 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 7.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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