Molecular formula
C20H23ClN5O+

SMILES
C[N+](C)(C)CC(=O)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)NCCC#N)Cl

Fragrance
Meaty	34.17%
Odorless	32.53%
Roasted	31.42%
Savory	29.56%
Animal	25.68%
Cooked	25.04%
Grape	24.26%
Citrus	22.89%
Burnt	22.37%
Grapefruit	19.96%

 

Flavor
Bitter	74.13%
Odorless	33.76%
Bland	25.73%
Mild	21.94%
Nitrile	19.68%
Cedarleaf	18.88%
Sweet-like	18.66%
Very strong	18.55%
Scallion	18.54%
Orange flower	18.26%

 

Odor impact est.
Odorless

XLogP3-AA
4.3

pKa est.
5.87 (weak acid)

Molecular weight
384.9 g/mol

Flash point

• 33.83 ˚C est.

• DTXSID60868108
• 2-[4-({3-Chloro-4-[(2-cyanoethyl)amino]phenyl}diazenyl)phenyl]-N,N,N-trimethyl-2-oxoethan-1-aminium

For the compound 2-[4-({3-Chloro-4-[(2-cyanoethyl)amino]phenyl}diazenyl)phenyl]-N,N,N-trimethyl-2-oxoethan-1-aminium, this is a water-soluble cationic azo dye with a diazenyl linkage, commonly used as a colorant in textiles, particularly for synthetic fibers and cationic dyeing processes; it is also employed in water-based coatings and printing inks to impart bright hues with good fastness; it can serve as a color additive in plastics and polymer formulations to color molded parts and films; and as an intermediate in the synthesis of related azo dyes or pigments for further color development. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	17.89
methanol	37.3
isopropanol	6.07
water	0.29
ethyl acetate	11.26
n-propanol	12.04
acetone	39.34
n-butanol	6.66
acetonitrile	17.24
DMF	117.69
toluene	5.01
isobutanol	6.7
1,4-dioxane	14.01
methyl acetate	19.14
THF	49.92
2-butanone	27.7
n-pentanol	9.22
sec-butanol	6.49
n-hexane	0.13
ethylene glycol	17.59
NMP	94.55
cyclohexane	0.2
DMSO	110.38
n-butyl acetate	10.07
n-octanol	5.75
chloroform	65.44
n-propyl acetate	14.55
acetic acid	77.59
dichloromethane	65.17
cyclohexanone	36.83
propylene glycol	21.42
isopropyl acetate	6.44
DMAc	129.99
2-ethoxyethanol	39.21
isopentanol	4.73
n-heptane	0.26
ethyl formate	23.51
1,2-dichloroethane	21.93
n-hexanol	6.9
2-methoxyethanol	51.65
isobutyl acetate	9.62
tetrachloromethane	3.22
n-pentyl acetate	12.15
transcutol	56.32
n-heptanol	7.01
ethylbenzene	2.52
MIBK	7.71
2-propoxyethanol	32.98
tert-butanol	4.16
MTBE	2.12
2-butoxyethanol	25.13
propionic acid	25.86
o-xylene	2.68
formic acid	75.07
diethyl ether	2.56
m-xylene	2.99
p-xylene	3.68
chlorobenzene	12.23
dimethyl carbonate	19.46
n-octane	0.18
formamide	77.05
cyclopentanone	66.7
2-pentanone	14.69
anisole	9.62
cyclopentyl methyl ether	9.59
gamma-butyrolactone	76.04
1-methoxy-2-propanol	33.9
pyridine	34.97
3-pentanone	10.93
furfural	97.74
n-dodecane	0.2
diethylene glycol	37.86
diisopropyl ether	0.55
tert-amyl alcohol	4.68
acetylacetone	28.65
n-hexadecane	0.22
acetophenone	20.18
methyl propionate	18.69
isopentyl acetate	8.43
trichloroethylene	82.92
n-nonanol	5.98
cyclohexanol	6.62
benzyl alcohol	20.52
2-ethylhexanol	4.42
isooctanol	5.62
dipropyl ether	3.45
1,2-dichlorobenzene	12.08
ethyl lactate	22.32
propylene carbonate	43.5
n-methylformamide	60.77
2-pentanol	2.95
n-pentane	0.11
1-propoxy-2-propanol	20.42
1-methoxy-2-propyl acetate	18.67
2-(2-methoxypropoxy) propanol	22.83
mesitylene	1.3
ε-caprolactone	32.23
p-cymene	2.36
epichlorohydrin	72.8
1,1,1-trichloroethane	12.03
2-aminoethanol	23.69
morpholine-4-carbaldehyde	72.62
sulfolane	100.88
2,2,4-trimethylpentane	0.11
2-methyltetrahydrofuran	13.83
n-hexyl acetate	12.03
isooctane	0.06
2-(2-butoxyethoxy)ethanol	28.85
sec-butyl acetate	6.52
tert-butyl acetate	6.4
decalin	0.19
glycerin	40.88
diglyme	48.69
acrylic acid	40.24
isopropyl myristate	4.11
n-butyric acid	23.18
acetyl acetate	11.24
di(2-ethylhexyl) phthalate	10.97
ethyl propionate	9.87
nitromethane	123.68
1,2-diethoxyethane	9.95
benzonitrile	21.21
trioctyl phosphate	6.62
1-bromopropane	5.52
gamma-valerolactone	94.61
n-decanol	4.27
triethyl phosphate	7.0
4-methyl-2-pentanol	2.04
propionitrile	11.57
vinylene carbonate	50.53
1,1,2-trichlorotrifluoroethane	102.98
DMS	15.99
cumene	1.89
2-octanol	4.04
2-hexanone	15.5
octyl acetate	7.17
limonene	2.62
1,2-dimethoxyethane	32.86
ethyl orthosilicate	5.53
tributyl phosphate	7.3
diacetone alcohol	18.08
N,N-dimethylaniline	7.71
acrylonitrile	25.58
aniline	13.27
1,3-propanediol	19.4
bromobenzene	10.09
dibromomethane	24.61
1,1,2,2-tetrachloroethane	49.2
2-methyl-cyclohexyl acetate	10.85
tetrabutyl urea	10.8
diisobutyl methanol	1.84
2-phenylethanol	16.25
styrene	3.36
dioctyl adipate	10.39
dimethyl sulfate	43.85
ethyl butyrate	8.87
methyl lactate	36.96
butyl lactate	19.75
diethyl carbonate	7.71
propanediol butyl ether	28.02
triethyl orthoformate	7.62
p-tert-butyltoluene	1.97
methyl 4-tert-butylbenzoate	19.1
morpholine	26.61
tert-butylamine	1.49
n-dodecanol	2.95
dimethoxymethane	36.74
ethylene carbonate	30.53
cyrene	43.23
2-ethoxyethyl acetate	22.6
2-ethylhexyl acetate	6.74
1,2,4-trichlorobenzene	18.65
4-methylpyridine	24.41
dibutyl ether	3.2
2,6-dimethyl-4-heptanol	1.84
DEF	22.39
dimethyl isosorbide	37.06
tetrachloroethylene	28.44
eugenol	26.57
triacetin	26.14
span 80	21.65
1,4-butanediol	15.51
1,1-dichloroethane	14.92
2-methyl-1-pentanol	6.52
methyl formate	59.23
2-methyl-1-butanol	5.75
n-decane	0.33
butyronitrile	9.59
3,7-dimethyl-1-octanol	4.36
1-chlorooctane	2.25
1-chlorotetradecane	0.88
n-nonane	0.27
undecane	0.25
tert-butylcyclohexane	0.18
cyclooctane	0.08
cyclopentanol	11.6
tetrahydropyran	9.07
tert-amyl methyl ether	2.66
2,5,8-trioxanonane	33.48
1-hexene	1.02
2-isopropoxyethanol	22.05
2,2,2-trifluoroethanol	37.59
methyl butyrate	16.53

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