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Basic Information
CAS No.: 74755-21-8
Name: sodium 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]butyrate
Molecular Structure:
Molecular Structure of 74755-21-8 (sodium 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]butyrate)
Formula: C18H18ClNO4·Na
Molecular Weight: 369.77
Synonyms: Butanoic acid, 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]-, sodium salt (9CI);
EINECS: 277-987-1
Boiling Point: 562.4 °C at 760 mmHg
Flash Point: 294 °C
PSA: 69.67000
LogP: 2.52550
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Specification

The Sodium 4-((4-chlorobenzoyl)(4-methoxyphenyl)amino)butyrate, with the CAS registry number 74755-21-8, is also known as Butanoic acid, 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]-, sodium salt (9CI). Its EINECS number is 277-987-1. This chemical's molecular formula is C18H18ClNO4·Na and molecular weight is 369.77. What's more, its systematic name is Sodium 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]butanoate.

Physical properties of Sodium 4-((4-chlorobenzoyl)(4-methoxyphenyl)amino)butyrate are: (1)ACD/LogP: 2.962; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 9.93; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 92.10; (8)ACD/KOC (pH 7.4): 1.45; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 66.84 Å2; (13)Flash Point: 294 °C; (14)Enthalpy of Vaporization: 88.96 kJ/mol; (15)Boiling Point: 562.4 °C at 760 mmHg; (16)Vapour Pressure: 1.73E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C(c1ccc(Cl)cc1)N(c2ccc(OC)cc2)CCCC([O-])=O
(2)Std. InChI: InChI=1S/C18H18ClNO4.Na/c1-24-16-10-8-15(9-11-16)20(12-2-3-17(21)22)18(23)13-4-6-14(19)7-5-13;/h4-11H,2-3,12H2,1H3,(H,21,22);/q;+1/p-1
(3)Std. InChIKey: XLGYRQNAXHSHGM-UHFFFAOYSA-M