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Home > Imidazoles > 905736-37-0
905736-37-0 | 1H-Imidazolium, 1-butyl-2,3-dimethyl-, phosphate (1:1)
CAS No: 905736-37-0 Catalog No: AG006CED MDL No:
Product Description
Catalog Number:
AG006CED
Chemical Name:
1H-Imidazolium, 1-butyl-2,3-dimethyl-, phosphate (1:1)
CAS Number:
905736-37-0
Molecular Formula:
C9H21N2O4P
Molecular Weight:
252.2478
IUPAC Name:
1-butyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium;dihydrogen phosphate
InChI:
InChI=1S/C9H18N2.H3O4P/c1-4-5-6-11-8-7-10(3)9(11)2;1-5(2,3)4/h7-9H,4-6H2,1-3H3;(H3,1,2,3,4)
InChI Key:
WAXJKRAXMPVMEA-UHFFFAOYSA-N
SMILES:
[O-]P(=O)(O)O.CCCC[NH+]1C=CN(C1C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.124g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.251g/mol
Monoisotopic Mass:
252.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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