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Home > Imidazoles > 1157867-61-2
1157867-61-2 | 1H-Imidazolium, 1,3-bis[2,6-bis(1-ethylpropyl)phenyl]-, chloride (1:1)
CAS No: 1157867-61-2 Catalog No: AG000GV2 MDL No:
Product Description
Catalog Number:
AG000GV2
Chemical Name:
1H-Imidazolium, 1,3-bis[2,6-bis(1-ethylpropyl)phenyl]-, chloride (1:1)
CAS Number:
1157867-61-2
Molecular Formula:
C35H55ClN2
Molecular Weight:
539.2776
IUPAC Name:
1,3-bis[2,6-di(pentan-3-yl)phenyl]imidazol-1-ium;chloride
InChI:
InChI=1S/C35H53N2.ClH/c1-9-26(10-2)30-19-17-20-31(27(11-3)12-4)34(30)36-23-24-37(25-36)35-32(28(13-5)14-6)21-18-22-33(35)29(15-7)16-8;/h17-29H,9-16H2,1-8H3;1H/q+1;/p-1
InChI Key:
ODQOSTRWDUNLQB-UHFFFAOYSA-M
SMILES:
CCC(c1cccc(c1N1C=C[NH+](C1)c1c(cccc1C(CC)CC)C(CC)CC)C(CC)CC)CC.[Cl-]
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.39g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
537.273g/mol
Monoisotopic Mass:
536.39g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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