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21054-71-7 | 1H-Imidazolium, 1,3-didodecyl-2-methyl-, chloride (1:1)
CAS No: 21054-71-7 Catalog No: AG002KV0 MDL No:MFCD11617810
Product Description
Catalog Number:
AG002KV0
Chemical Name:
1H-Imidazolium, 1,3-didodecyl-2-methyl-, chloride (1:1)
CAS Number:
21054-71-7
Molecular Formula:
C28H57ClN2
Molecular Weight:
457.2186
MDL Number:
MFCD11617810
IUPAC Name:
1,3-didodecyl-2-methylimidazol-1-ium;chloride
InChI:
InChI=1S/C28H55N2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-29-26-27-30(28(29)3)25-23-21-19-17-15-13-11-9-7-5-2;/h26-27H,4-25H2,1-3H3;1H/q+1;/p-1
InChI Key:
ONVPFSYQVOTHPK-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCN1C=C[NH+](C1C)CCCCCCCCCCCC.[Cl-]
EC Number:
606-695-2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.405g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.212g/mol
Monoisotopic Mass:
454.405g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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