Formula |
C12H16N4O3 |
IUPAC Name |
[3-[(1r)-2-[butyl(nitroso)amino]-1-hydroxy-ethyl]-6-oxo-cyclohexa-1,4-dien-1-yl]-λ1-azanyl-azanide |
Molecular Mass |
264.280 g·mol−1 |
Heat of Formation |
-42.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.37 ± 1.08 D |
Volume |
322.12 Å 3 |
Surface Area |
283.48 Å 2 |
HOMO Energy |
-9.09 ± 0.55 eV |
LUMO Energy |
1.71 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-(3-diazo-4-oxo-1,5-cyclohexadienyl)-1-hydroxy-2-(n-nitrosobutylamino)ethane
- 2-cyclohexadien-1-one, 4-(2-(butylnitrosoamino)-1-hydroxyethyl)-6-diazo-, (r)-
- 3-diazo-n-nitrosobamethan
- 4-[(1r)-2-(butyl-nitroso-amino)-1-hydroxy-ethyl]-2-diazonio-phenolate
- 4-[(1r)-2-(butyl-nitrosoamino)-1-hydroxyethyl]-2-diazoniophenolate
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CAS Number(s) |
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InChIKey |
XCTWLIUNPSHBSS-LBPRGKRZSA-N |
QR Code |
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Links |
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Elements |
H
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