- 0 of 1 defined stereocentres
2-(Diethylamino)ethyl cyclohexyl(phenyl)acetate
O=C(OCCN(CC)CC)C(c1ccccc1)C2CCCCC2 CopyCopied
InChI=1S/C20H31NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3 CopyCopied
AGJBLWCLQCKRJP-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1679-76-1 [RN]
2-(Diethylamino)ethyl cyclohexyl(phenyl)acetate [ACD/IUPAC Name]
2-(Diethylamino)ethyl α-cyclohexylbenzeneacetate
2-Diethylaminoethyl a-Phenylcyclohexaneacetate
a-Cyclohexylbenzeneacetic Acid 2-(Diethylamino)ethyl Ester
a-Phenylcyclohexaneacetic Acid 2-(Diethylamino)ethyl Ester
benzeneacetic acid, α-cyclohexyl-, 2-(diethylamino)ethyl ester
Benzeneacetic acid, α-cyclohexyl-, 2-(diethylamino)ethyl ester (9CI)
cycloadiphenine
2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate
2-(Diethylamino)ethyl cyclohexylphenylacetate
2-(Diethylamino)ethyl α-phenylcyclohexaneacetate
2-(Diethylamino)ethyl(α-phenylcyclohexane)acetate hydrochloride
4-09-00-02145
4-09-00-02145 (Beilstein Handbook Reference) [Beilstein]
Adiphenine H
Cycloadiphene
Cyclohexaneacetic acid, α-phenyl-, 2-(diethylamino)ethyl ester
Cyclospasmol [Tempelhof]
Cyclovesantine
Drofenina [Spanish] [INN]
Drofenine [INN]
Drofeninum [Latin]
Hexahydroadiphenine
Trasentin H
Trasentine 6H
Trasentine-6H
Trasentine-6H hydrochloride
α-Cyclohexylbenzeneacetic acid 2-(diethylamino)ethyl ester
α-Phenylcyclohexaneacetic acid 2-(diethylamino)ethyl ester
BRN 2059173 [DBID]
DivK1c_000135 [DBID]
IT-19 [DBID]
KBio1_000135 [DBID]
KBio2_001696 [DBID]
KBio2_004264 [DBID]
KBio2_006832 [DBID]
KBio3_002348 [DBID]
KBioGR_000670 [DBID]
KBioSS_001696 [DBID]
NINDS_000135 [DBID]
NSC42559 [DBID]
Prestwick0_000789 [DBID]
Prestwick1_000789 [DBID]
SPBio_001009 [DBID]
SPBio_002837 [DBID]
Spectrum_001216 [DBID]
Spectrum2_000975 [DBID]
Spectrum3_001424 [DBID]
Spectrum4_000405 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 384.57 (Adapted Stein & Brown method) Melting Pt (deg C): 123.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.07E-006 (Modified Grain method) Subcooled liquid VP: 1.97E-005 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.199 log Kow used: 5.45 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7144 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.96E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.932E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.45 (KowWin est) Log Kaw used: -5.791 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.241 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7481 Biowin2 (Non-Linear Model) : 0.9390 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3302 (weeks-months) Biowin4 (Primary Survey Model) : 3.2670 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3675 Biowin6 (MITI Non-Linear Model): 0.2043 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0231 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00263 Pa (1.97E-005 mm Hg) Log Koa (Koawin est ): 11.241 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00114 Octanol/air (Koa) model: 0.0428 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0396 Mackay model : 0.0837 Octanol/air (Koa) model: 0.774 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 112.2701 E-12 cm3/molecule-sec Half-Life = 0.095 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.143 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0617 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.467E+004 Log Koc: 4.928 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.193E-002 L/mol-sec Kb Half-Life at pH 8: 1.842 years Kb Half-Life at pH 7: 18.416 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.495 (BCF = 3123) log Kow used: 5.45 (estimated) Volatilization from Water: Henry LC: 3.96E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.635E+004 hours (1098 days) Half-Life from Model Lake : 2.876E+005 hours (1.198E+004 days) Removal In Wastewater Treatment: Total removal: 87.62 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.88 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0451 2.29 1000 Water 7.24 900 1000 Soil 50.7 1.8e+003 1000 Sediment 42.1 8.1e+003 0 Persistence Time: 1.97e+003 hr
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