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663199-28-8 | 1-Butyl-3-methylimidazolium dibutyl phosphate
CAS No: 663199-28-8 Catalog No: AG003E68 MDL No:MFCD09265043
Product Description
Catalog Number:
AG003E68
Chemical Name:
1-Butyl-3-methylimidazolium dibutyl phosphate
CAS Number:
663199-28-8
Molecular Formula:
C16H33N2O4P
Molecular Weight:
348.4180
MDL Number:
MFCD09265043
IUPAC Name:
1-butyl-3-methylimidazol-3-ium;dibutyl phosphate
InChI:
InChI=1S/C8H15N2.C8H19O4P/c1-3-4-5-10-7-6-9(2)8-10;1-3-5-7-11-13(9,10)12-8-6-4-2/h6-8H,3-5H2,1-2H3;3-8H2,1-2H3,(H,9,10)/q+1;/p-1
InChI Key:
NTXQJRGQUZXUMU-UHFFFAOYSA-M
SMILES:
CCCC[n+]1ccn(c1)C.CCCCOP(=O)(OCCCC)[O-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.218g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.424g/mol
Monoisotopic Mass:
348.218g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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