Try beta.chemspider
- 1 of 1 defined stereocentres
(2R)-2-(Methoxymethyl)-1-pyrrolidinamine
COC[C@H]1CCCN1N
InChI=1S/C6H14N2O/c1-9-5-6-3-2-4-8(6)7/h6H,2-5,7H2,1H3/t6-/m1/s1
BWSIKGOGLDNQBZ-ZCFIWIBFSA-N
CSID:2006670, http://www.chemspider.com/Chemical-Structure.2006670.html (accessed 13:58, May 11, 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) = -0.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 189.96 (Adapted Stein & Brown method) Melting Pt (deg C): 22.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.593 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.434e+005 log Kow used: -0.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.39E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.958E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.67 (KowWin est) Log Kaw used: -7.465 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.795 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3382 Biowin2 (Non-Linear Model) : 0.0937 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9028 (weeks ) Biowin4 (Primary Survey Model) : 3.6502 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0748 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2047 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): 72.1 Pa (0.541 mm Hg) Log Koa (Koawin est ): 6.795 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.16E-008 Octanol/air (Koa) model: 1.53E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.5E-006 Mackay model : 3.33E-006 Octanol/air (Koa) model: 0.000122 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 66.1932 E-12 cm3/molecule-sec Half-Life = 0.162 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.939 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.41E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 26.29 Log Koc: 1.420 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 = 0.500 (BCF = 3.162) log Kow used: -0.67 (estimated) Volatilization from Water: Henry LC: 8.39E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.962E+005 hours (3.318E+004 days) Half-Life from Model Lake : 8.686E+006 hours (3.619E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.019 3.88 1000 Water 39.2 360 1000 Soil 60.7 720 1000 Sediment 0.0718 3.24e+003 0 Persistence Time: 566 hr
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