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Cas Database |
| Name |
Mepacrine hydrochloride |
EINECS | 200-700-8 |
| CAS No. | 6151-30-0 | Density | N/A |
| PSA | 55.85000 | LogP | 7.52080 |
| 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 | N/A | 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; |
Article Data | 1 |
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.
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