Molecular formula
C23H23FN4O7Zn

SMILES
CCC(=O)C1=C(C(=C(C=C1)F)[C@@H]2C[C@@H]2NC(=O)NC3=NC=C(C=C3)C#N)O.CC(=O)[O-].CC(=O)[O-].[Zn+2]

Fragrance
Odorless	71.59%
Savory	33.05%
Meaty	25.6%
Cooling	23.03%
Roasted	22.17%
Cooked	21.95%
Milky	20.61%
Bitter	19.01%
Burnt	17.17%
Animal	16.19%

 

Flavor
Bitter	94.16%
Odorless	42.76%
Bland	27.14%
Sweet-like	19.99%
Nitrile	18.85%
Cedarleaf	18.56%
Very strong	17.61%
Indole	17.38%
Mild	17.23%
Orange flower	17.19%

 

Odor impact est.
Odorless

pKa est.
7.77 (neutral)

Molecular weight
551.8 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
1243°C

Flash point

• 233.1 ˚C est.

• zinc;1-(5-cyanopyridin-2-yl)-3-[(1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea;diacetate
• MIV-150/ZA/CG
• zinc 1-(5-cyano-2-pyridyl)-3-[(1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea diacetate

zinc;1-(5-cyanopyridin-2-yl)-3-[(1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea;diacetate is typically encountered as a zinc salt used as an intermediate and building block in chemical synthesis, with several practical applications across industries: in pharmaceutical research, it serves as an intermediate in drug synthesis and as a scaffold for medicinal chemistry SAR studies; in agrochemical R&D, it may be evaluated as an intermediate for the development of pesticides or related actives; in organic synthesis, zinc diacetate-type salts function as Lewis acid catalysts or reagents, and this complex could act as a catalyst precursor or reagent in various transformations; in coordination chemistry and materials science, the zinc-containing salt can be explored as a ligand or building block for coordination compounds or functional materials.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3.94
methanol	7.54
isopropanol	1.97
water	0.03
ethyl acetate	4.12
n-propanol	3.39
acetone	13.87
n-butanol	2.6
acetonitrile	6.72
DMF	30.36
toluene	0.34
isobutanol	1.68
1,4-dioxane	4.74
methyl acetate	7.66
THF	13.88
2-butanone	17.49
n-pentanol	2.16
sec-butanol	2.22
n-hexane	0.01
ethylene glycol	3.27
NMP	37.99
cyclohexane	0.01
DMSO	71.62
n-butyl acetate	3.07
n-octanol	0.4
chloroform	3.58
n-propyl acetate	3.29
acetic acid	18.35
dichloromethane	4.78
cyclohexanone	17.49
propylene glycol	4.3
isopropyl acetate	1.94
DMAc	64.18
2-ethoxyethanol	11.91
isopentanol	1.76
n-heptane	0.01
ethyl formate	6.53
1,2-dichloroethane	3.0
n-hexanol	1.26
2-methoxyethanol	20.28
isobutyl acetate	1.32
tetrachloromethane	0.28
n-pentyl acetate	1.94
transcutol	10.46
n-heptanol	0.87
ethylbenzene	0.22
MIBK	2.38
2-propoxyethanol	10.41
tert-butanol	1.48
MTBE	0.63
2-butoxyethanol	6.21
propionic acid	8.8
o-xylene	0.23
formic acid	18.61
diethyl ether	0.77
m-xylene	0.16
p-xylene	0.34
chlorobenzene	0.89
dimethyl carbonate	4.24
n-octane	0.01
formamide	27.81
cyclopentanone	23.48
2-pentanone	6.59
anisole	1.5
cyclopentyl methyl ether	1.03
gamma-butyrolactone	21.6
1-methoxy-2-propanol	10.28
pyridine	8.54
3-pentanone	4.67
furfural	22.73
n-dodecane	0.01
diethylene glycol	12.85
diisopropyl ether	0.11
tert-amyl alcohol	1.69
acetylacetone	9.86
n-hexadecane	0.01
acetophenone	3.52
methyl propionate	5.19
isopentyl acetate	2.49
trichloroethylene	7.86
n-nonanol	0.51
cyclohexanol	1.3
benzyl alcohol	3.22
2-ethylhexanol	0.7
isooctanol	0.64
dipropyl ether	0.66
1,2-dichlorobenzene	0.91
ethyl lactate	4.58
propylene carbonate	7.9
n-methylformamide	17.95
2-pentanol	0.84
n-pentane	0.01
1-propoxy-2-propanol	5.25
1-methoxy-2-propyl acetate	5.08
2-(2-methoxypropoxy) propanol	6.53
mesitylene	0.08
ε-caprolactone	12.06
p-cymene	0.22
epichlorohydrin	18.9
1,1,1-trichloroethane	1.48
2-aminoethanol	5.6
morpholine-4-carbaldehyde	22.92
sulfolane	39.48
2,2,4-trimethylpentane	0.01
2-methyltetrahydrofuran	3.68
n-hexyl acetate	1.83
isooctane	0.01
2-(2-butoxyethoxy)ethanol	7.16
sec-butyl acetate	1.57
tert-butyl acetate	1.75
decalin	0.01
glycerin	12.09
diglyme	12.91
acrylic acid	12.02
isopropyl myristate	0.73
n-butyric acid	8.19
acetyl acetate	3.16
di(2-ethylhexyl) phthalate	2.06
ethyl propionate	2.97
nitromethane	40.94
1,2-diethoxyethane	2.23
benzonitrile	3.64
trioctyl phosphate	1.16
1-bromopropane	0.87
gamma-valerolactone	41.41
n-decanol	0.39
triethyl phosphate	2.07
4-methyl-2-pentanol	0.47
propionitrile	4.59
vinylene carbonate	8.62
1,1,2-trichlorotrifluoroethane	26.25
DMS	3.03
cumene	0.15
2-octanol	0.38
2-hexanone	5.38
octyl acetate	1.24
limonene	0.29
1,2-dimethoxyethane	13.26
ethyl orthosilicate	1.56
tributyl phosphate	1.48
diacetone alcohol	6.02
N,N-dimethylaniline	0.91
acrylonitrile	8.91
aniline	1.81
1,3-propanediol	8.46
bromobenzene	0.6
dibromomethane	1.94
1,1,2,2-tetrachloroethane	5.55
2-methyl-cyclohexyl acetate	2.28
tetrabutyl urea	2.64
diisobutyl methanol	0.34
2-phenylethanol	2.98
styrene	0.3
dioctyl adipate	2.25
dimethyl sulfate	11.34
ethyl butyrate	2.88
methyl lactate	8.85
butyl lactate	3.34
diethyl carbonate	2.49
propanediol butyl ether	4.16
triethyl orthoformate	2.15
p-tert-butyltoluene	0.17
methyl 4-tert-butylbenzoate	3.7
morpholine	8.51
tert-butylamine	0.35
n-dodecanol	0.27
dimethoxymethane	9.16
ethylene carbonate	5.89
cyrene	10.97
2-ethoxyethyl acetate	4.24
2-ethylhexyl acetate	1.84
1,2,4-trichlorobenzene	1.69
4-methylpyridine	5.15
dibutyl ether	0.44
2,6-dimethyl-4-heptanol	0.34
DEF	7.49
dimethyl isosorbide	9.42
tetrachloroethylene	2.76
eugenol	5.22
triacetin	4.15
span 80	4.23
1,4-butanediol	3.84
1,1-dichloroethane	1.81
2-methyl-1-pentanol	1.78
methyl formate	12.02
2-methyl-1-butanol	1.89
n-decane	0.01
butyronitrile	3.85
3,7-dimethyl-1-octanol	0.44
1-chlorooctane	0.12
1-chlorotetradecane	0.06
n-nonane	0.01
undecane	0.01
tert-butylcyclohexane	0.01
cyclooctane	0.0
cyclopentanol	2.31
tetrahydropyran	2.24
tert-amyl methyl ether	0.73
2,5,8-trioxanonane	9.94
1-hexene	0.13
2-isopropoxyethanol	5.45
2,2,2-trifluoroethanol	8.87
methyl butyrate	4.96

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