CAS No.170787-99-2,Efaproxiral sodium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	170787-99-2
Name:	Efaproxiral sodium

Formula:	C₂₀H₂₃NO₄ . Na
Molecular Weight:	363.38
Synonyms:	Propanoicacid, 2-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxoethyl]phenoxy]-2-methyl-,monosodium salt (9CI);RSR 13 sodium;Sodium 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate;
EINECS:	811-228-2
Melting Point:	240.0 ~244.0 °C
Boiling Point:	554.5 °C at 760 mmHg
Flash Point:	289.2 °C
PSA:	78.46000
LogP:	2.46490

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Specification

The Efaproxiral sodium with cas registry number of 170787-99-2, is also called RSR 13 sodium ; Sodium 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate .

Physical properties of Efaproxiral sodium :(1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 1.17; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.97; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 66.84 Å²; (13)Enthalpy of Vaporization: 87.93 kJ/mol; (14)Vapour Pressure: 3.93E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:[Na+].[O-]C(=O)C(Oc1ccc(cc1)CC(=O)Nc2cc(cc(c2)C)C)(C)C; (2)InChI:InChI=1/C20H23NO4.Na/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24;/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24);/q;+1/p-1; (3)InChIKey:SWDPIHPGORBMFR-REWHXWOFAB; (4)Std. InChI:InChI=1S/C20H23NO4.Na/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24;/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24);/q;+1/p-1; (5)Std. InChIKey:SWDPIHPGORBMFR-UHFFFAOYSA-M.