Mepacrine hydrochloride supplier

Name
Mepacrine hydrochloride
EINECS 200-700-8
CAS No. 6151-30-0
Article Data1
CAS DataBase
Density
Solubility 2.8 g/100 mL
Melting Point 247 °C
Formula C₂₃ H₃₀ Cl N₃ O . 2 Cl H . 2 H₂ O
Boiling Point 557.1 °C at 760 mmHg
Molecular Weight 508.916
Flash Point 290.7 °C
Transport Information
Appearance bright yellow powder
Safety S26;S37/39
Risk Codes R22;R36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 1,4-Pentanediamine,N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, dihydrochloride, dihydrate(9CI);Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-,dihydrochloride, dihydrate (8CI);3-Chloro-7-methoxy-9-[[1-methyl-4-(diethylamino)butyl]amino]acridine dihydrochloridedihydrate;Atabrine hydrochloride dihydrate;Mepacrine hydrochloride dihydrate;Quinacrine dihydrochloride dihydrate;Quinacrine hydrochloride dihydrate;
PSA 55.85000
LogP 7.52080

Mepacrine hydrochloride Specification

The Mepacrine hydrochloride with cas registry number of 6151-30-0, is also called Atabrine hydrochloride dihydrate ; Quinacrine hydrochloride dihydrate .

Physical properties of Mepacrine hydrochloride :(1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.79; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 10.43; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 28.6 ?2; (13)Enthalpy of Vaporization: 83.88 kJ/mol; (14)Vapour Pressure: 1.9E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Mepacrine hydrochloride irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, Mepacrine hydrochloride is also harmful by inhalation and if swallowed.

You can still convert the following datas into molecular structure:(1)SMILES:Cl.Cl.Clc2ccc1c(c3c(nc1c2)ccc(OC)c3)NC(C)CCCN(CC)CC.O.O; (2)InChI:InChI=1/C23H30ClN3O.2ClH.2H2O/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);2*1H;2*1H2; (3)InChIKey:RZFNKJVCPDLQQA-UHFFFAOYAK; (4)Std. InChI:InChI=1S/C23H30ClN3O.2ClH.2H2O/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);2*1H;2*1H2; (5)Std. InChIKey:RZFNKJVCPDLQQA-UHFFFAOYSA-N.

Product Name

Mepacrine hydrochloride

Mepacrine hydrochloride Specification

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