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869858-84-4 | 1-Ethyl-3-methylimidazolium dibutyl phosphate
CAS No: 869858-84-4 Catalog No: AG004HDP MDL No:
Product Description
Catalog Number:
AG004HDP
Chemical Name:
1-Ethyl-3-methylimidazolium dibutyl phosphate
CAS Number:
869858-84-4
Molecular Formula:
C14H29N2O4P
Molecular Weight:
320.3648
IUPAC Name:
dibutyl phosphate;1-ethyl-3-methylimidazol-3-ium
InChI:
InChI=1S/C8H19O4P.C6H11N2/c1-3-5-7-11-13(9,10)12-8-6-4-2;1-3-8-5-4-7(2)6-8/h3-8H2,1-2H3,(H,9,10);4-6H,3H2,1-2H3/q;+1/p-1
InChI Key:
IDXRTKFKTIRDST-UHFFFAOYSA-M
SMILES:
CC[n+]1ccn(c1)C.CCCCOP(=O)(OCCCC)[O-]
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.186g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.37g/mol
Monoisotopic Mass:
320.186g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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