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1 hit(s) found in 0.18 seconds Search term: KWTSXDURSIMDCE-UHFFFAOYAO Found by InChIKey (full match)
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1-Phenyl-2-propanamin
1-Phenyl-2-propanamine
1-Phényl-2-propanamine
1-Phenylpropan-2-amine
200-458-3
[EINECS/ELINCS]
Adderall
[Wiki]
Amphetamine
[Wiki]
benzeneethanamine, alpha-methyl-
Benzeneethanamine, alpha-methyl-, (+-)-
60-15-1
More...
1-phenyl-2-aminopropane
1-Phenylpropan-2-amin
300-62-9
[RN]
507867
[Beilstein]
51-64-9
[RN]
60-15-1
[RN]
alpha-methylbenzeneethaneamine
alpha-Methylphenethylamine
alpha-methylphenylethylamine
AMFETAMINE
[Wiki]
amfetaminum
[Latin]
Amphetamin
amphetamine, L-
beta-aminopropylbenzene
beta-Phenylisopropylamin
[German]
beta-phenylisopropylamine
desoxynorephedrine
DL-Amphetamine solution
PHENETHYLAMINE, ALPHA-METHYL-, (+)-
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610240_ALDRICH
nchembio.2007.55-comp27
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 1.76
Log Kow (Exper. database match) = 1.76
Exper. Ref: Sangster (1994)
Log Kow (Exper. database match) = 1.76
Exper. Ref: Hansch,C et al. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 211.58 (Adapted Stein & Brown method)
Melting Pt (deg C): 11.30 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.31 (Mean VP of Antoine & Grain methods)
MP (exp database): < 25 deg C
BP (exp database): 203 deg C
VP (exp database): 2.40E-01 mm Hg at 20 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2.803e+004
log Kow used: 1.76 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5492.3 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.08E-006 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 1.968E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.76 (exp database)
Log Kaw used: -4.355 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.115
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0198
Biowin2 (Non-Linear Model) : 0.9898
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8720 (weeks )
Biowin4 (Primary Survey Model) : 3.6323 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2783
Biowin6 (MITI Non-Linear Model): 0.2199
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3872
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): 32 Pa (0.24 mm Hg)
Log Koa (Koawin est ): 6.115
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.38E-008
Octanol/air (Koa) model: 3.2E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.39E-006
Mackay model : 7.5E-006
Octanol/air (Koa) model: 2.56E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 49.3528 E-12 cm3/molecule-sec
Half-Life = 0.217 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.601 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 5.44E-006 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1109
Log Koc: 3.045
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 = 0.655 (BCF = 4.521)
log Kow used: 1.76 (expkow database)
Volatilization from Water:
Henry LC: 1.08E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 631.6 hours (26.31 days)
Half-Life from Model Lake : 6987 hours (291.1 days)
Removal In Wastewater Treatment:
Total removal: 2.14 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.98 percent
Total to Air: 0.06 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.598 5.2 1000
Water 34.8 360 1000
Soil 64.5 720 1000
Sediment 0.0981 3.24e+003 0
Persistence Time: 401 hr
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