200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 840541-23-3
840541-23-3 | 1H-Imidazolium, 1,3-bis(2,4,6-trimethylphenyl)-, chloride, monohydrate
CAS No: 840541-23-3 Catalog No: AG0050EV MDL No:
Product Description
Catalog Number:
AG0050EV
Chemical Name:
1H-Imidazolium, 1,3-bis(2,4,6-trimethylphenyl)-, chloride, monohydrate
CAS Number:
840541-23-3
Molecular Formula:
C21H29ClN2O
Molecular Weight:
360.9208
IUPAC Name:
1,3-bis(2,4,6-trimethylphenyl)-1,2-dihydroimidazol-1-ium;chloride;hydrate
InChI:
InChI=1S/C21H26N2.ClH.H2O/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;/h7-12H,13H2,1-6H3;1H;1H2
InChI Key:
YXTGIALAEMTPKA-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)N1C=C[NH+](C1)c1c(C)cc(cc1C)C.O.[Cl-]
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.197g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.926g/mol
Monoisotopic Mass:
360.197g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.