Molecular formula
C9H12N2O

SMILES
CC1=C(C=NC=C1)C(=O)N(C)C

Fragrance
Roasted	35.66%
Nutty	31.56%
Popcorn	25.7%
Mint	25.38%
Odorless	25.07%
Grape	24.53%
Animal	24.11%
Herbal	23.19%
Musty	22.38%
Earthy	22.24%

 

Flavor
Bitter	41.42%
Fruity	26.69%
Roasted	23.86%
Odorless	21.53%
Hazelnut	21.45%
Musty	21.31%
Nutty	21.28%
Carrot	21.07%
Bread crust	21.02%
Earthy	20.73%

 

Odor impact est.
Medium

XLogP3-AA
0.7

pKa est.
5.68 (weak acid)

Molecular weight
164.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
301°C

Flash point

• 118.91 ˚C est.

• N,N,4-trimethylnicotinamide
• SCHEMBL14907222
• 3-pyridinecarboxamide, N,N,4-trimethyl-
• InChI=1/C9H12N2O/c1-7-4-5-10-6-8(7)9(12)11(2)3/h4-6H,1-3H
• 3-PYRIDINECARBOXYLIC ACID,4-METHYL,AMIDE,N,N-DIMETHYL; 4-METHYL-NICOTINIC ACID-DIMETHYLAMIDE

N,N,4-trimethylnicotinamide is primarily a synthetic intermediate and building block for nicotinamide-derived compounds used in pharmaceuticals and crop protection chemicals; it serves as a precursor in the synthesis of API-like derivatives and research tools related to NAD+ and enzyme studies; in research and development, it may be employed to prepare nicotinamide derivatives for enzyme assays and cofactor-mimicking models; in polymers and coatings, it can function as a precursor for functional monomers or additives to improve polymer properties and surface finishes; as a heteroaromatic amide, it can also be considered a feedstock for colorants or pigments used in coatings and inks.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	100.52
methanol	126.76
isopropanol	81.99
water	18.12
ethyl acetate	43.98
n-propanol	98.58
acetone	55.72
n-butanol	71.25
acetonitrile	76.67
DMF	249.91
toluene	54.74
isobutanol	83.77
1,4-dioxane	131.04
methyl acetate	64.02
THF	106.37
2-butanone	67.42
n-pentanol	54.28
sec-butanol	82.31
n-hexane	2.79
ethylene glycol	95.79
NMP	184.37
cyclohexane	7.14
DMSO	109.83
n-butyl acetate	36.03
n-octanol	34.77
chloroform	400.26
n-propyl acetate	29.48
acetic acid	130.36
dichloromethane	333.27
cyclohexanone	115.67
propylene glycol	79.3
isopropyl acetate	25.41
DMAc	181.1
2-ethoxyethanol	88.53
isopentanol	55.22
n-heptane	4.45
ethyl formate	91.84
1,2-dichloroethane	136.68
n-hexanol	71.73
2-methoxyethanol	175.07
isobutyl acetate	23.56
tetrachloromethane	69.46
n-pentyl acetate	30.34
transcutol	67.58
n-heptanol	47.27
ethylbenzene	34.02
MIBK	29.24
2-propoxyethanol	102.85
tert-butanol	87.89
MTBE	36.31
2-butoxyethanol	70.16
propionic acid	106.57
o-xylene	53.4
formic acid	129.24
diethyl ether	25.77
m-xylene	43.88
p-xylene	51.03
chlorobenzene	98.53
dimethyl carbonate	36.14
n-octane	3.12
formamide	128.44
cyclopentanone	125.0
2-pentanone	40.19
anisole	52.95
cyclopentyl methyl ether	55.46
gamma-butyrolactone	169.43
1-methoxy-2-propanol	103.7
pyridine	160.41
3-pentanone	39.48
furfural	221.65
n-dodecane	3.11
diethylene glycol	107.4
diisopropyl ether	9.43
tert-amyl alcohol	81.68
acetylacetone	41.9
n-hexadecane	3.53
acetophenone	64.32
methyl propionate	57.55
isopentyl acetate	36.97
trichloroethylene	318.42
n-nonanol	29.9
cyclohexanol	81.75
benzyl alcohol	90.37
2-ethylhexanol	41.47
isooctanol	38.16
dipropyl ether	19.89
1,2-dichlorobenzene	100.68
ethyl lactate	44.05
propylene carbonate	111.13
n-methylformamide	166.79
2-pentanol	42.96
n-pentane	3.73
1-propoxy-2-propanol	62.01
1-methoxy-2-propyl acetate	42.74
2-(2-methoxypropoxy) propanol	49.35
mesitylene	27.54
ε-caprolactone	102.17
p-cymene	30.2
epichlorohydrin	176.85
1,1,1-trichloroethane	127.99
2-aminoethanol	123.63
morpholine-4-carbaldehyde	179.25
sulfolane	176.0
2,2,4-trimethylpentane	5.28
2-methyltetrahydrofuran	88.66
n-hexyl acetate	38.59
isooctane	3.49
2-(2-butoxyethoxy)ethanol	57.17
sec-butyl acetate	20.41
tert-butyl acetate	28.61
decalin	6.73
glycerin	125.53
diglyme	91.64
acrylic acid	118.01
isopropyl myristate	17.35
n-butyric acid	104.87
acetyl acetate	30.86
di(2-ethylhexyl) phthalate	31.94
ethyl propionate	30.49
nitromethane	135.81
1,2-diethoxyethane	27.23
benzonitrile	103.1
trioctyl phosphate	22.71
1-bromopropane	60.7
gamma-valerolactone	168.31
n-decanol	23.04
triethyl phosphate	29.33
4-methyl-2-pentanol	27.77
propionitrile	84.12
vinylene carbonate	138.3
1,1,2-trichlorotrifluoroethane	194.91
DMS	39.36
cumene	28.92
2-octanol	30.37
2-hexanone	31.21
octyl acetate	24.25
limonene	33.94
1,2-dimethoxyethane	95.41
ethyl orthosilicate	26.86
tributyl phosphate	21.84
diacetone alcohol	57.38
N,N-dimethylaniline	52.58
acrylonitrile	129.2
aniline	91.35
1,3-propanediol	124.41
bromobenzene	90.8
dibromomethane	192.83
1,1,2,2-tetrachloroethane	251.88
2-methyl-cyclohexyl acetate	39.17
tetrabutyl urea	30.63
diisobutyl methanol	22.96
2-phenylethanol	78.29
styrene	36.12
dioctyl adipate	28.26
dimethyl sulfate	64.58
ethyl butyrate	30.67
methyl lactate	60.6
butyl lactate	38.7
diethyl carbonate	28.75
propanediol butyl ether	58.27
triethyl orthoformate	27.36
p-tert-butyltoluene	27.64
methyl 4-tert-butylbenzoate	63.16
morpholine	140.37
tert-butylamine	53.56
n-dodecanol	18.41
dimethoxymethane	84.52
ethylene carbonate	96.33
cyrene	82.46
2-ethoxyethyl acetate	37.28
2-ethylhexyl acetate	30.47
1,2,4-trichlorobenzene	120.68
4-methylpyridine	142.46
dibutyl ether	17.0
2,6-dimethyl-4-heptanol	22.96
DEF	79.65
dimethyl isosorbide	82.04
tetrachloroethylene	187.92
eugenol	70.26
triacetin	39.03
span 80	49.44
1,4-butanediol	68.05
1,1-dichloroethane	133.52
2-methyl-1-pentanol	51.07
methyl formate	135.84
2-methyl-1-butanol	65.31
n-decane	4.64
butyronitrile	80.06
3,7-dimethyl-1-octanol	30.05
1-chlorooctane	20.38
1-chlorotetradecane	9.13
n-nonane	4.16
undecane	3.73
tert-butylcyclohexane	6.58
cyclooctane	2.94
cyclopentanol	101.14
tetrahydropyran	76.77
tert-amyl methyl ether	35.25
2,5,8-trioxanonane	69.59
1-hexene	12.81
2-isopropoxyethanol	57.83
2,2,2-trifluoroethanol	86.96
methyl butyrate	47.21

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