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18796-02-6 | 1H-Imidazole, 2,5-dihydro-1-hydroxy-2,2,4,5,5-pentamethyl-, 3-oxide
CAS No: 18796-02-6 Catalog No: AG002GLF MDL No:
Product Description
Catalog Number:
AG002GLF
Chemical Name:
1H-Imidazole, 2,5-dihydro-1-hydroxy-2,2,4,5,5-pentamethyl-, 3-oxide
CAS Number:
18796-02-6
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
IUPAC Name:
3-hydroxy-2,2,4,4,5-pentamethyl-1-oxidoimidazol-1-ium
InChI:
InChI=1S/C8H16N2O2/c1-6-7(2,3)10(12)8(4,5)9(6)11/h12H,1-5H3
InChI Key:
ANKGMEQLPXFSPL-UHFFFAOYSA-N
SMILES:
CC1=[N+]([O-])C(N(C1(C)C)O)(C)C
NSC Number:
663915
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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