- 0 of 1 defined stereocentres
N4-(6-Chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-1,4-pentanediamine
CCN(CC)CCCC(C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl CopyCopied
InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26) CopyCopied
GPKJTRJOBQGKQK-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,4-pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-
1,4-pentanediamine, N4-[(9E)-6-chloro-2-methoxy-9(10H)-acridinylidene]-N1,N1-diethyl-
1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-
1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, (±)-
3-Chloro-7-methoxy-9-(1-methyl-4-diethyl Aminobutylamino)acridine
6-CHLORO-9-[[4-(DIETHYLAMINO)-1-METHYLBUTYL]AMINO]-2-METHOXYACRIDINE
ACRIDINE, 6-CHLORO-9-((4-(DIETHYLAMINO)-1-METHYLBUTYL)AMINO)-2-METHOXY-, DL-
Atabrine [Wiki]
DL-6-Chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxy-acridine
mepacrine [Wiki]
N4-(6-Chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-1,4-pentanediamine [ACD/IUPAC Name]
N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine
N4-[(9E)-6-Chloro-2-methoxy-9(10H)-acridinylidene]-N1,N1-diethyl-1,4-pentanediamine
N4-[6-chloro-2-(methyloxy)acridin-9-yl]-N1,N1-diethylpentane-1,4-diamine
Quinacrine [Wiki]
130-42-7 [RN]
201-508-7 [EINECS]
2-methoxy-6-chloro-9-diethylaminopentylaminoacridine
316-05-2 [RN]
337376-15-5 [RN]
3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine
497807 [Beilstein]
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
66777-81-9 [RN]
6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine
83-89-6 [RN]
95500 [Beilstein]
Acirchine
Acridine, 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxy-
Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-
Acrinamine
Antimalarina
Arichin
atebrin
Atebrine
chinacrin
GNF-PF-5448
Haffkinine
Italchine
Mepacrina [Spanish] [INN]
Mepacrinum [Latin]
Methoquine
Metoquin
N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine
Quinactine
AI3-04467 [DBID]
AIDS002327 [DBID]
AIDS-002327 [DBID]
BAS 00439963 [DBID]
C07339 [DBID]
CHEBI:8711 [DBID]
DivK1c_000101 [DBID]
HSDB 3253 [DBID]
KBio1_000101 [DBID]
KBio2_001409 [DBID]
KBio2_002507 [DBID]
KBio2_003977 [DBID]
KBio2_005075 [DBID]
KBio2_006545 [DBID]
KBio2_007643 [DBID]
KBio3_001612 [DBID]
KBio3_002985 [DBID]
KBioGR_001011 [DBID]
KBioGR_002507 [DBID]
KBioSS_001409 [DBID]
KBioSS_002515 [DBID]
nchembio873-comp30 [DBID]
NCI60_000926 [DBID]
NINDS_000101 [DBID]
NSC14229 [DBID]
Prestwick0_000318 [DBID]
Prestwick1_000318 [DBID]
SPBio_000676 [DBID]
SPBio_002535 [DBID]
ST 439 [DBID]
Spectrum_000929 [DBID]
Spectrum2_000888 [DBID]
Spectrum3_000606 [DBID]
Spectrum4_000496 [DBID]
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) = 5.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 506.49 (Adapted Stein & Brown method) Melting Pt (deg C): 215.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.75E-010 (Modified Grain method) Subcooled liquid VP: 1.88E-008 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): 0.02956 log Kow used: 5.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.7076 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.20E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.116E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.75 (KowWin est) Log Kaw used: -12.596 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.346 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0676 Biowin2 (Non-Linear Model) : 0.0014 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6608 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7861 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2715 Biowin6 (MITI Non-Linear Model): 0.0008 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6676 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): 2.51E-006 Pa (1.88E-008 mm Hg) Log Koa (Koawin est ): 18.346 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.2 Octanol/air (Koa) model: 5.45E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.977 Mackay model : 0.99 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 320.4056 E-12 cm3/molecule-sec Half-Life = 0.033 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 24.036 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.984 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.875E+006 Log Koc: 6.688 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 = 3.730 (BCF = 5373) log Kow used: 5.75 (estimated) Volatilization from Water: Henry LC: 6.2E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.889E+011 hours (7.869E+009 days) Half-Life from Model Lake : 2.06E+012 hours (8.584E+010 days) Removal In Wastewater Treatment: Total removal: 90.73 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.97 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 4.75e-007 0.801 1000 Water 1.54 4.32e+003 1000 Soil 65.2 8.64e+003 1000 Sediment 33.3 3.89e+004 0 Persistence Time: 1.21e+004 hr
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