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Home > Imidazoles > 669772-78-5
669772-78-5 | 1H-Imidazolium, 1-butyl-3-methyl-, butanoate
CAS No: 669772-78-5 Catalog No: AG006MZR MDL No:
Product Description
Catalog Number:
AG006MZR
Chemical Name:
1H-Imidazolium, 1-butyl-3-methyl-, butanoate
CAS Number:
669772-78-5
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
IUPAC Name:
butanoate;1-butyl-3-methyl-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C8H16N2.C4H8O2/c1-3-4-5-10-7-6-9(2)8-10;1-2-3-4(5)6/h6-7H,3-5,8H2,1-2H3;2-3H2,1H3,(H,5,6)
InChI Key:
QGYGRQGZDRVWRP-UHFFFAOYSA-N
SMILES:
CCCC(=O)[O-].CCCC[NH+]1C=CN(C1)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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