Molecular formula
C19H25ClN2

SMILES
C[NH+](C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.[Cl-]

Fragrance
Animal	44.63%
Fishy	31.7%
Cheesy	27.62%
Floral	27.54%
Burnt	26.26%
Earthy	26.0%
Roasted	25.55%
Ripe	24.36%
Sweet	23.07%
Musty	21.65%

 

Flavor
Bitter	27.8%
Herbal	26.82%
Fruity	23.7%
Mild	22.59%
Green	20.94%
Earthy	20.63%
Green pepper	20.08%
Cedarleaf	19.86%
Tomato leaf	19.8%
Herb	19.68%

 

Odor impact est.
Low

pKa est.
8.07 (weak base)

Molecular weight
316.9 g/mol

Flash point

• 193.13 ˚C est.

• Tofranil
• 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-aminium chloride
• AKOS024356992

Tofranil is primarily used as an active pharmaceutical ingredient (API) in oral antidepressant formulations, and is recognized as a reference compound in medicinal chemistry research and development. In the pharmaceutical industry, it is used as an analytical standard for API quality control and impurity profiling, supporting method development and release testing. It may serve as a starting material or precursor for the synthesis of related compounds during medicinal chemistry exploration, and it contributes to formulation development efforts to optimize the stability and bioavailability of oral dosage forms.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	224.32
methanol	252.97
isopropanol	102.83
water	1.14
ethyl acetate	396.65
n-propanol	241.46
acetone	534.08
n-butanol	217.34
acetonitrile	190.56
DMF	1140.76
toluene	212.16
isobutanol	196.25
1,4-dioxane	708.25
methyl acetate	378.48
THF	857.1
2-butanone	429.61
n-pentanol	214.46
sec-butanol	131.69
n-hexane	35.49
ethylene glycol	100.8
NMP	1144.61
cyclohexane	74.01
DMSO	790.7
n-butyl acetate	352.83
n-octanol	70.41
chloroform	1949.08
n-propyl acetate	316.31
acetic acid	524.68
dichloromethane	1897.66
cyclohexanone	756.12
propylene glycol	94.96
isopropyl acetate	232.1
DMAc	981.8
2-ethoxyethanol	416.63
isopentanol	196.62
n-heptane	24.63
ethyl formate	445.04
1,2-dichloroethane	1253.7
n-hexanol	203.95
2-methoxyethanol	528.55
isobutyl acetate	256.86
tetrachloromethane	281.9
n-pentyl acetate	212.09
transcutol	745.55
n-heptanol	114.99
ethylbenzene	91.67
MIBK	201.09
2-propoxyethanol	410.35
tert-butanol	117.21
MTBE	209.48
2-butoxyethanol	276.06
propionic acid	313.99
o-xylene	124.04
formic acid	214.74
diethyl ether	311.62
m-xylene	115.76
p-xylene	134.25
chlorobenzene	464.16
dimethyl carbonate	288.06
n-octane	11.82
formamide	280.89
cyclopentanone	983.37
2-pentanone	336.48
anisole	214.43
cyclopentyl methyl ether	407.97
gamma-butyrolactone	1066.31
1-methoxy-2-propanol	275.91
pyridine	668.32
3-pentanone	386.12
furfural	961.72
n-dodecane	8.86
diethylene glycol	323.18
diisopropyl ether	87.67
tert-amyl alcohol	130.39
acetylacetone	417.34
n-hexadecane	10.29
acetophenone	266.25
methyl propionate	395.15
isopentyl acetate	295.55
trichloroethylene	2060.87
n-nonanol	72.05
cyclohexanol	243.8
benzyl alcohol	238.32
2-ethylhexanol	143.71
isooctanol	97.78
dipropyl ether	184.75
1,2-dichlorobenzene	439.96
ethyl lactate	176.96
propylene carbonate	584.06
n-methylformamide	507.74
2-pentanol	118.2
n-pentane	33.36
1-propoxy-2-propanol	243.11
1-methoxy-2-propyl acetate	325.42
2-(2-methoxypropoxy) propanol	170.7
mesitylene	72.53
ε-caprolactone	609.44
p-cymene	76.07
epichlorohydrin	1230.55
1,1,1-trichloroethane	816.34
2-aminoethanol	159.62
morpholine-4-carbaldehyde	902.8
sulfolane	1199.4
2,2,4-trimethylpentane	23.5
2-methyltetrahydrofuran	522.49
n-hexyl acetate	212.57
isooctane	13.88
2-(2-butoxyethoxy)ethanol	255.4
sec-butyl acetate	194.82
tert-butyl acetate	218.16
decalin	35.41
glycerin	179.13
diglyme	550.64
acrylic acid	354.09
isopropyl myristate	79.08
n-butyric acid	432.59
acetyl acetate	315.75
di(2-ethylhexyl) phthalate	115.23
ethyl propionate	237.83
nitromethane	734.46
1,2-diethoxyethane	321.41
benzonitrile	293.04
trioctyl phosphate	79.81
1-bromopropane	460.97
gamma-valerolactone	1071.16
n-decanol	56.0
triethyl phosphate	144.29
4-methyl-2-pentanol	86.18
propionitrile	220.08
vinylene carbonate	603.68
1,1,2-trichlorotrifluoroethane	991.41
DMS	255.85
cumene	71.4
2-octanol	59.5
2-hexanone	275.03
octyl acetate	117.34
limonene	117.15
1,2-dimethoxyethane	585.76
ethyl orthosilicate	144.66
tributyl phosphate	105.36
diacetone alcohol	202.64
N,N-dimethylaniline	148.73
acrylonitrile	280.5
aniline	312.42
1,3-propanediol	217.39
bromobenzene	496.49
dibromomethane	1102.26
1,1,2,2-tetrachloroethane	1617.8
2-methyl-cyclohexyl acetate	199.65
tetrabutyl urea	128.14
diisobutyl methanol	66.31
2-phenylethanol	213.03
styrene	141.85
dioctyl adipate	141.12
dimethyl sulfate	466.61
ethyl butyrate	240.65
methyl lactate	221.8
butyl lactate	173.38
diethyl carbonate	189.78
propanediol butyl ether	153.9
triethyl orthoformate	194.68
p-tert-butyltoluene	68.21
methyl 4-tert-butylbenzoate	186.77
morpholine	721.94
tert-butylamine	84.76
n-dodecanol	45.69
dimethoxymethane	574.32
ethylene carbonate	535.58
cyrene	268.47
2-ethoxyethyl acetate	321.93
2-ethylhexyl acetate	269.89
1,2,4-trichlorobenzene	527.37
4-methylpyridine	538.18
dibutyl ether	115.04
2,6-dimethyl-4-heptanol	66.31
DEF	586.1
dimethyl isosorbide	315.12
tetrachloroethylene	1069.32
eugenol	195.13
triacetin	223.6
span 80	147.05
1,4-butanediol	154.89
1,1-dichloroethane	775.02
2-methyl-1-pentanol	209.18
methyl formate	517.63
2-methyl-1-butanol	212.32
n-decane	14.15
butyronitrile	241.42
3,7-dimethyl-1-octanol	73.44
1-chlorooctane	69.88
1-chlorotetradecane	31.38
n-nonane	12.99
undecane	10.72
tert-butylcyclohexane	26.61
cyclooctane	24.79
cyclopentanol	242.64
tetrahydropyran	607.07
tert-amyl methyl ether	175.41
2,5,8-trioxanonane	329.94
1-hexene	122.75
2-isopropoxyethanol	266.93
2,2,2-trifluoroethanol	297.24
methyl butyrate	343.68

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