- 2 of 2 defined stereocentres
4-[(1R,2S)-2-Amino-1-hydroxypropyl]-1,2-benzenediol
Oc1ccc(cc1O)[C@@H](O)[C@@H](N)C CopyCopied
InChI=1S/C9H13NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,9,11-13H,10H2,1H3/t5-,9-/m0/s1 CopyCopied
GEFQWZLICWMTKF-CDUCUWFYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(-)-a-(1-Aminoethyl)-3,4-dihydroxybenzyl Alcohol
(-)-Nordefrin
(R-(R*,S*))-4-(2-Amino-1-hydroxypropyl)-1,2-benzenediol
1,2-benzenediol, 4-[(1R,2S)-2-amino-1-hydroxypropyl]-
4-[(1R,2S)-2-Amino-1-hydroxypropyl]benzene-1,2-diol
4-[(1R,2S)-2-amino-1-hydroxypropyl]benzène-1,2-diol
4-[(1R,2S)-2-Amino-1-hydroxypropyl]benzol-1,2-diol
829-74-3 [RN]
(-)-3,4-Dihydroxynorephedrine
(−)-3,4-Dihydroxynorephedrine
(-)-α-(1-Aminoethyl)-3,4-dihydroxybenzyl alcohol
(−)-α-Methylnorepinephrine
(α-R,β-S)-4-(1-Hydroxy-2-methylamino-propyl)-benzene-1,2-diol
(α-R,β-S)-4-(2-Amino-1-hydroxy-propyl)-benzene-1,2-diol
1,2-Benzenediol, 4-(2-amino-1-hydroxypropyl)-, (R-(R*,S*))-
18829-78-2 [RN]
4-((2S,1R)-2-amino-1-hydroxypropyl)benzene-1,2-diol
4-(2-Amino-1-hydroxypropyl)-1,2-benzenediol [ACD/IUPAC Name]
829-74-3, 18829-78-2
829-74-3, 18829-78-2 [replaced]
CAS-829-74-3
Corbadrina [Spanish] [INN]
CORBADRINE
Corbadrinum [Latin]
L-4-(2-Amino-1-hydroxypropyl)-1,2-benzenediol
LEVONORDEFRIN [Wiki] [USP]
Neo-Cobefrin
Neo-cobefrin (TN)
Nordefrin, (-)-
α-(1-Aminoethyl)-3,4-dihydroxybenzyl alcohol
α-Methylnoradrenaline
C11768 [DBID]
D02388 [DBID]
D5290_SIGMA [DBID]
DivK1c_000315 [DBID]
KBio1_000315 [DBID]
KBio2_002122 [DBID]
KBio2_004690 [DBID]
KBio2_007258 [DBID]
KBio3_001440 [DBID]
KBioGR_000463 [DBID]
KBioSS_002122 [DBID]
Lopac-D-5290 [DBID]
NCGC00015345-01 [DBID]
NCGC00016542-01 [DBID]
NINDS_000315 [DBID]
SPBio_001010 [DBID]
Spectrum_001642 [DBID]
Spectrum2_001055 [DBID]
Spectrum3_000480 [DBID]
Spectrum4_000032 [DBID]
Data supplied by datasources and users.
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) = -0.74 Log Kow (Exper. database match) = -1.43 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 347.46 (Adapted Stein & Brown method) Melting Pt (deg C): 127.77 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.8E-007 (Modified Grain method) Subcooled liquid VP: 6.17E-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): 1e+006 log Kow used: -1.43 (expkow database) 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: Aliphatic Amines Phenols Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.27E-019 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.398E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.43 (exp database) Log Kaw used: -16.758 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.328 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2045 Biowin2 (Non-Linear Model) : 0.9885 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0915 (weeks ) Biowin4 (Primary Survey Model) : 3.8355 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4546 Biowin6 (MITI Non-Linear Model): 0.3718 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8090 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): 0.000823 Pa (6.17E-006 mm Hg) Log Koa (Koawin est ): 15.328 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00365 Octanol/air (Koa) model: 522 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.116 Mackay model : 0.226 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 106.5634 E-12 cm3/molecule-sec Half-Life = 0.100 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.204 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.171 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 151.6 Log Koc: 2.181 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: -1.43 (expkow database) Volatilization from Water: Henry LC: 4.27E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.856E+015 hours (7.733E+013 days) Half-Life from Model Lake : 2.025E+016 hours (8.436E+014 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 1.16e-011 2.41 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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