Molecular formula
C14H16N4O6

SMILES
CN1C2=CC(=C(C=C2N=C(C1=O)CCC(=O)N[N+](=O)[O-])OC)OC

Fragrance
Odorless	62.92%
Savory	29.79%
Milky	25.48%
Meaty	21.86%
Cooked	21.78%
Roasted	20.98%
Grape	20.5%
Fruity	18.36%
Cooling	17.76%
Burnt	17.58%

 

Flavor
Bitter	67.88%
Odorless	51.46%
Bland	31.84%
Very mild	23.7%
Mild	22.37%
Sweet-like	20.95%
Bread crust	18.67%
Taco	18.56%
Nitrile	18.48%
Yeast	18.45%

 

Odor impact est.
Low

XLogP3-AA
0.2

pKa est.
6.28 (neutral)

Molecular weight
336.3 g/mol

Flash point

• 242.83 ˚C est.

3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)-N-nitropropanamide is typically used as a synthetic intermediate in pharmaceutical research, providing a heterocyclic quinoxaline scaffold for the preparation of novel drug-like compounds; it is often evaluated as a building block for advanced materials and polymers, with potential applications in organic electronics and functional coatings; in coatings, inks, and dye formulations, it can serve as a heterocyclic precursor contributing to color and UV-absorbing properties; in industrial manufacturing and chemical synthesis, it may be employed as a reactive intermediate or scaffold for library synthesis of heterocyclic compounds; and in agrochemical or crop-protection research, it might be explored as part of lead-optimization studies, subject to local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1.06
methanol	1.57
isopropanol	0.8
water	0.08
ethyl acetate	1.07
n-propanol	1.06
acetone	4.42
n-butanol	0.74
acetonitrile	3.92
DMF	19.23
toluene	0.09
isobutanol	0.81
1,4-dioxane	2.5
methyl acetate	2.47
THF	8.07
2-butanone	4.63
n-pentanol	0.75
sec-butanol	0.98
n-hexane	0.03
ethylene glycol	1.13
NMP	26.73
cyclohexane	0.02
DMSO	60.36
n-butyl acetate	0.91
n-octanol	0.19
chloroform	1.77
n-propyl acetate	1.17
acetic acid	6.66
dichloromethane	4.5
cyclohexanone	6.08
propylene glycol	0.59
isopropyl acetate	0.52
DMAc	41.45
2-ethoxyethanol	5.57
isopentanol	0.74
n-heptane	0.02
ethyl formate	1.89
1,2-dichloroethane	2.92
n-hexanol	0.3
2-methoxyethanol	8.95
isobutyl acetate	0.5
tetrachloromethane	0.19
n-pentyl acetate	0.62
transcutol	5.67
n-heptanol	0.3
ethylbenzene	0.14
MIBK	0.83
2-propoxyethanol	4.05
tert-butanol	0.82
MTBE	0.38
2-butoxyethanol	2.31
propionic acid	2.25
o-xylene	0.15
formic acid	8.73
diethyl ether	0.53
m-xylene	0.09
p-xylene	0.28
chlorobenzene	0.32
dimethyl carbonate	1.74
n-octane	0.01
formamide	15.43
cyclopentanone	9.66
2-pentanone	1.78
anisole	0.59
cyclopentyl methyl ether	0.83
gamma-butyrolactone	11.74
1-methoxy-2-propanol	3.42
pyridine	3.13
3-pentanone	1.76
furfural	10.46
n-dodecane	0.01
diethylene glycol	5.7
diisopropyl ether	0.09
tert-amyl alcohol	0.97
acetylacetone	2.64
n-hexadecane	0.01
acetophenone	1.62
methyl propionate	1.89
isopentyl acetate	0.93
trichloroethylene	4.68
n-nonanol	0.24
cyclohexanol	0.69
benzyl alcohol	1.23
2-ethylhexanol	0.28
isooctanol	0.29
dipropyl ether	0.51
1,2-dichlorobenzene	0.47
ethyl lactate	1.43
propylene carbonate	3.01
n-methylformamide	7.72
2-pentanol	0.36
n-pentane	0.02
1-propoxy-2-propanol	2.03
1-methoxy-2-propyl acetate	1.6
2-(2-methoxypropoxy) propanol	3.42
mesitylene	0.06
ε-caprolactone	4.42
p-cymene	0.17
epichlorohydrin	12.08
1,1,1-trichloroethane	0.73
2-aminoethanol	1.45
morpholine-4-carbaldehyde	14.81
sulfolane	24.77
2,2,4-trimethylpentane	0.01
2-methyltetrahydrofuran	2.58
n-hexyl acetate	0.61
isooctane	0.01
2-(2-butoxyethoxy)ethanol	2.98
sec-butyl acetate	0.56
tert-butyl acetate	0.59
decalin	0.02
glycerin	2.76
diglyme	7.97
acrylic acid	3.18
isopropyl myristate	0.29
n-butyric acid	1.72
acetyl acetate	0.72
di(2-ethylhexyl) phthalate	0.82
ethyl propionate	1.2
nitromethane	17.3
1,2-diethoxyethane	1.28
benzonitrile	1.39
trioctyl phosphate	0.45
1-bromopropane	0.72
gamma-valerolactone	15.67
n-decanol	0.18
triethyl phosphate	1.23
4-methyl-2-pentanol	0.2
propionitrile	2.26
vinylene carbonate	2.99
1,1,2-trichlorotrifluoroethane	10.84
DMS	1.25
cumene	0.14
2-octanol	0.18
2-hexanone	1.9
octyl acetate	0.43
limonene	0.2
1,2-dimethoxyethane	10.29
ethyl orthosilicate	0.96
tributyl phosphate	0.68
diacetone alcohol	2.12
N,N-dimethylaniline	0.63
acrylonitrile	4.17
aniline	0.58
1,3-propanediol	2.28
bromobenzene	0.22
dibromomethane	1.86
1,1,2,2-tetrachloroethane	3.07
2-methyl-cyclohexyl acetate	1.13
tetrabutyl urea	1.35
diisobutyl methanol	0.18
2-phenylethanol	0.88
styrene	0.14
dioctyl adipate	0.91
dimethyl sulfate	6.14
ethyl butyrate	1.18
methyl lactate	2.48
butyl lactate	1.04
diethyl carbonate	1.07
propanediol butyl ether	1.26
triethyl orthoformate	1.11
p-tert-butyltoluene	0.12
methyl 4-tert-butylbenzoate	1.83
morpholine	4.46
tert-butylamine	0.24
n-dodecanol	0.13
dimethoxymethane	5.52
ethylene carbonate	2.25
cyrene	6.09
2-ethoxyethyl acetate	1.45
2-ethylhexyl acetate	0.73
1,2,4-trichlorobenzene	0.8
4-methylpyridine	1.95
dibutyl ether	0.34
2,6-dimethyl-4-heptanol	0.18
DEF	4.02
dimethyl isosorbide	5.91
tetrachloroethylene	1.91
eugenol	2.32
triacetin	1.57
span 80	1.51
1,4-butanediol	1.26
1,1-dichloroethane	0.93
2-methyl-1-pentanol	0.88
methyl formate	5.95
2-methyl-1-butanol	0.85
n-decane	0.02
butyronitrile	1.58
3,7-dimethyl-1-octanol	0.22
1-chlorooctane	0.09
1-chlorotetradecane	0.04
n-nonane	0.01
undecane	0.01
tert-butylcyclohexane	0.02
cyclooctane	0.01
cyclopentanol	1.21
tetrahydropyran	1.16
tert-amyl methyl ether	0.47
2,5,8-trioxanonane	6.32
1-hexene	0.15
2-isopropoxyethanol	2.87
2,2,2-trifluoroethanol	5.11
methyl butyrate	2.14

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