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Search term: KWTSXDURSIMDCE-UHFFFAOYAO
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Inherent Properties, Identifiers and References
ChemSpider ID: 13852819
Empirical Formula: C9H13N
Molecular Weight: 135.2062
Nominal Mass: 135 Da
Average Mass: 135.2062 Da
Monoisotopic Mass: 135.104799 Da
Systematic Name: 1-phenylpropan-2-amine
SMILES: NC(C)Cc1ccccc1
InChI: InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKey: KWTSXDURSIMDCE-UHFFFAOYAO
Std. InChI: InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
Std. InChIKey: KWTSXDURSIMDCE-UHFFFAOYSA-N
(Details...) Wikipedia Article(s)
Adderall is a brand-name psychostimulant medication composed of amphetamine and dextroamphetamine, which is thought to work by increasing the amount of dopamine and norepinephrine in the brain. Adderall is widely reported to increase alertness, libido, concentration and overall cognitive performance while decreasing user fatigue. It is available in two formulations: IR (Instant Release) and XR (eXtended Release). The immediate release formulation is indicated for use in Attention Deficit Hyperactivity Disorder (ADHD) and narcolepsy, while the XR formulation is only approved for use in ADHD. In the United States, Adderall is a Schedule II drug under the Controlled Substance Act due to having significant abuse and addiction potential Read more... or Edit at Wikipedia...
Amphetamine (amfetamine (INN)) is a psychostimulant drug that is known to produce increased wakefulness and focus in association with decreased fatigue and appetite. Amphetamine is related to drugs such as methamphetamine, levoamphetamine, dextroamphetamine, which are a group of potent drugs that act by increasing levels of dopamine and norepinephrine in the brain, inducing euphoria. The group includes prescription CNS drugs commonly used to treat attention-deficit hyperactivity disorder (ADHD). It is also used to treat symptoms of traumatic brain injury and the daytime drowsiness symptoms of narcolepsy, Postural Orthostatic Tachycardia Syndrome and chronic fatigue syndrome. Initially, amphetamine was more popularly used to diminish the appetite and to control weight. Brand names of the drugs that contain, or metabolize into, amphetamine include Adderall, Vyvanse, and Dexedrine, as well as Benzedrine in the past. The drug is also used recreationally and as a performance enhancer. Recreational users of amphetamine have coined numerous euphemisms for amphetamine, such as speed and crank. The European Monitoring Centre for Drugs and Drug Addiction reports the typical retail price of amphetamine in Europe varied between €10 and €15 ($14.38 to $21.55 USD) a gram in half of the reporting countries. The name amphetamine is derived from its chemical name: alpha-methylphenethylamine. Read more... or Edit at Wikipedia...
Benzedrine is the trade name of the racemic mixture of amphetamine (dl-amphetamine). It was marketed under this brandname in the USA by Smith, Kline & French in the form of inhalers, starting in 1928. Benzedrine was used to enlarge nasal and bronchial passages and it is closely related to other stimulants produced later, such as dextroamphetamine (d-amphetamine) and methamphetamine. Read more... or Edit at Wikipedia...
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1-Phenyl-​2-propana​min

1-Phenyl-​2-propana​mine

1-Phényl-​2-propana​mine

1-Phenylp​ropan-2-a​mine

200-458-3 [EINECS/ELINCS]

Adderall [Wiki]

benzeneet​hanamine,​ alpha-me​thyl-

Benzeneet​hanamine,​ alpha-me​thyl-, (+​-)-

60-15-1

1-phenyl-​2-aminopr​opane

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(Details...) Description

Turn On and Tune In

Psychedelics, Narcotics and Euphoriants

Turn On and Tune In

 

John Mann (Author)
ISBN: 978-1-84755-909-8

Website: http://www.rsc.org/shop/books/2009/9781847559098.asp

 

Synopsis

 

Timothy Leary's advice to "tune in, turn on and drop out" was a 1960s exhortation to experiment with LSD, but humans had been consuming ergot alkaloids related to lysergic acid diethylamide for at least a thousand years.

 

This is the first book to cover all of the major psychoactive drugs (both natural and synthetic) in one volume, and the only one to cover all aspects of these drugs from their anthropological and sociological influences through to their chemistry and pharmacology.

(Details...) ACD/Labs Predicted Properties
ACD/LogP: 1.81 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1
#H bond acceptors: 1 #H bond donors: 2
#Freely Rotating Bonds: 3 Polar Surface Area: 26.02 Å2
Index of Refraction: 1.527 Molar Refractivity: 43.92 cm3
Molar Volume: 142.8 cm3 Polarizability: 17.41 10-24cm3
Surface Tension: 36.1 dyne/cm Density: 0.946 g/cm3
Flash Point: 87.4 °C Enthalpy of Vaporization: 43.77 kJ/mol
Boiling Point: 201.5 °C at 760 mmHg Vapour Pressure: 0.307 mmHg at 25°C
MeSH
(Details...) EPI Summary 
            
 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