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Home > Imidazoles > 64918-63-4
64918-63-4 | 4-CYANO-2,2,5,5-TETRAMETHYL-3-IMIDAZOLINE-3-OXIDE-1-OXYL
CAS No: 64918-63-4 Catalog No: AG00EEAR MDL No:
Product Description
Catalog Number:
AG00EEAR
Chemical Name:
4-CYANO-2,2,5,5-TETRAMETHYL-3-IMIDAZOLINE-3-OXIDE-1-OXYL
CAS Number:
64918-63-4
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
IUPAC Name:
1-λ1-oxidanyl-2,2,5,5-tetramethyl-3-oxidoimidazol-3-ium-4-carbonitrile
InChI:
InChI=1S/C8H12N3O2/c1-7(2)6(5-9)10(12)8(3,4)11(7)13/h1-4H3
InChI Key:
AOVRNHYDLIFVKJ-UHFFFAOYSA-N
SMILES:
ON1C(C)(C)C(=[N+](C1(C)C)[O-])C#N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.093g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.203g/mol
Monoisotopic Mass:
182.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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