2-(Acetyloxy)benzoic acid mix with 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and N,N-Dimethyl-2-[(2-methylphenyl)phenylmethoxy]ethanamine 2-Hydroxy-1,2,3-propanetricarboxylate supplier

Name
2-acetyloxybenzoic acid, N,N-dimethyl-2-[(2-methylphenyl)-phenyl-metho xy]ethanamine, 2-hydroxypropane-1,2,3-tricarboxylic acid, 1,3,7-trimet hylpurine-2,6-dione
EINECS
CAS No. 88566-80-7
Density
Solubility
Melting Point
Formula C₁₈H₂₃NO^.C₉H₈O₄^.C₈H₁₀N₄O₂^.C₆H₈O₇
Boiling Point 363 °C at 760 mmHg
Molecular Weight 835.86
Flash Point 107.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid,2-(acetyloxy)-,mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6- dione and N,N-dimethyl-2-[(2-methylphenyl)- phenylmethoxy]ethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1);2-acetyloxybenzoic acid; N,N-dimethyl-2-[(2-methylphenyl)-phenyl-methoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid; 1,3,7-trimethylpurine-2,6-dione;Norgesic forte;Benzoic acid, 2-(acetyloxy)-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and N,N-dimethyl-2-((2-methylphenyl)phenylmethoxy)ethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1);
PSA 270.02000
LogP 2.69490

2-(Acetyloxy)benzoic acid mix with 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and N,N-Dimethyl-2-[(2-methylphenyl)phenylmethoxy]ethanamine 2-Hydroxy-1,2,3-propanetricarboxylate Specification

The 2-(Acetyloxy)benzoic acid mix with 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and N,N-Dimethyl-2-[(2-methylphenyl)phenylmethoxy]ethanamine 2-Hydroxy-1,2,3-propanetricarboxylate, with the CAS number 88566-80-7, is also called Norgesic forte. The IUPAC name is 2-acetyloxybenzoic acid; N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid; 1,3,7-trimethylpurine-2,6-dione. Its molecular formula is C₁₈H₂₃NO^.C₉H₈O₄^.C₈H₁₀N₄O₂^.C₆H₈O₇.

The properties of the chemical are: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 1.11; (6)ACD/BCF (pH 7.4): 36.77; (7)ACD/KOC (pH 5.5): 5.79; (8)ACD/KOC (pH 7.4): 191.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47Å²; (13)Enthalpy of Vaporization: 60.9 kJ/mol; (14)Vapour Pressure: 1.86×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)(CC(=O)O)CC(=O)O.O=C(O)c1ccccc1OC(=O)C.O=C2N(c1ncn(c1C(=O)N2C)C)C.O(CCN(C)C)C(c1ccccc1)c2ccccc2C
(2)InChI: InChI=1/C18H23NO.C9H8O4.C8H10N4O2.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;2-5H,1H3,(H,11,12);4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
(3)InChIKey: PQOVMKOIORHXFP-UHFFFAOYAG

Product Name

2-acetyloxybenzoic acid, N,N-dimethyl-2-[(2-methylphenyl)-phenyl-metho xy]ethanamine, 2-hydroxypropane-1,2,3-tricarboxylic acid, 1,3,7-trimet hylpurine-2,6-dione

2-(Acetyloxy)benzoic acid mix with 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and N,N-Dimethyl-2-[(2-methylphenyl)phenylmethoxy]ethanamine 2-Hydroxy-1,2,3-propanetricarboxylate Specification

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