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Algesal CAS NO.4419-92-5
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Keywords
- Diethylamine salicylate
- 2-hydroxybenzoate
- diethylazanium
Quick Details
Superiority
The Algesal, with the CAS registry number 4419-92-5, is also known as Diethylammonium salicylate. It belongs to the product category of Heterocyclic Compounds. Its EINECS registry number is 224-586-4. This chemical's molecular formula is C11H17NO3 and molecular weight is 211.120843. Its IUPAC name is called diethylazanium; 2-hydroxybenzoate.
Physical properties of Algesal: (1)ACD/LogP: 2.06; (2)ACD/LogD (pH 5.5): -0.93; (3)ACD/LogD (pH 7.4): -1.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 144.5 °C; (12)Enthalpy of Vaporization: 61.16 kJ/mol; (13)Boiling Point: 336.3 °C at 760 mmHg; (14)Vapour Pressure: 4.45E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC[NH2+]CC.C1=CC=C(C(=C1)C(=O)[O-])O
(2)InChI: InChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3
(3)InChIKey: JGMKRAUEFASZKH-UHFFFAOYSA-N
Details
The Algesal, with the CAS registry number 4419-92-5, is also known as Diethylammonium salicylate. It belongs to the product category of Heterocyclic Compounds. Its EINECS registry number is 224-586-4. This chemical's molecular formula is C11H17NO3 and molecular weight is 211.120843. Its IUPAC name is called diethylazanium; 2-hydroxybenzoate.
Physical properties of Algesal: (1)ACD/LogP: 2.06; (2)ACD/LogD (pH 5.5): -0.93; (3)ACD/LogD (pH 7.4): -1.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 144.5 °C; (12)Enthalpy of Vaporization: 61.16 kJ/mol; (13)Boiling Point: 336.3 °C at 760 mmHg; (14)Vapour Pressure: 4.45E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC[NH2+]CC.C1=CC=C(C(=C1)C(=O)[O-])O
(2)InChI: InChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-4-2/h1-4,8H,(H,9,10);5H,3-4H2,1-2H3
(3)InChIKey: JGMKRAUEFASZKH-UHFFFAOYSA-N