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N,N-Diethyl-1-(10H-phenothiazin-10-yl)-2-propanamine
CCN(CC)C(C)CN1c2ccccc2Sc3c1cccc3
InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
CDOZDBSBBXSXLB-UHFFFAOYSA-N
CSID:3174, http://www.chemspider.com/Chemical-Structure.3174.html (accessed 05:57, Jun 1, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.47 Log Kow (Exper. database match) = 4.77 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 405.98 (Adapted Stein & Brown method) Melting Pt (deg C): 158.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.54E-006 (Modified Grain method) MP (exp database): 64.5 deg C Subcooled liquid VP: 5.95E-006 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): 0.6925 log Kow used: 4.77 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.4856 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.77E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.508E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.77 (exp database) Log Kaw used: -7.445 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.215 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1883 Biowin2 (Non-Linear Model) : 0.0028 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9990 (months ) Biowin4 (Primary Survey Model) : 2.8209 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2226 Biowin6 (MITI Non-Linear Model): 0.0026 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4037 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): 0.000793 Pa (5.95E-006 mm Hg) Log Koa (Koawin est ): 12.215 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00378 Octanol/air (Koa) model: 0.403 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.12 Mackay model : 0.232 Octanol/air (Koa) model: 0.97 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 296.7654 E-12 cm3/molecule-sec Half-Life = 0.036 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.950 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.176 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.15E+005 Log Koc: 5.061 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.973 (BCF = 939.5) log Kow used: 4.77 (expkow database) Volatilization from Water: Henry LC: 8.77E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.18E+006 hours (4.917E+004 days) Half-Life from Model Lake : 1.287E+007 hours (5.364E+005 days) Removal In Wastewater Treatment: Total removal: 69.10 percent Total biodegradation: 0.62 percent Total sludge adsorption: 68.48 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 0.00315 0.865 1000 Water 7.5 1.44e+003 1000 Soil 78.8 2.88e+003 1000 Sediment 13.7 1.3e+004 0 Persistence Time: 2.97e+003 hr
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