Propanedioic acid,2-[[[4-(decyloxy)-3-ethoxyphenyl]amino]methylene]-, 1,3-diethyl ester supplier

Name
diethyl (4-decyloxy-3-ethoxyanilino)methylenemalonate
EINECS 247-903-8
CAS No. 26692-07-9
Article Data6
CAS DataBase
Density 1.058 g/cm³
Solubility
Melting Point
Formula C₂₆H₄₁NO₆
Boiling Point 522.9 °C at 760 mmHg
Molecular Weight 463.615
Flash Point 270 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malonicacid, [[4-(decyloxy)-m-phenetidino]methylene]-, diethyl ester (8CI);Propanedioic acid, [[[4-(decyloxy)-3-ethoxyphenyl]amino]methylene]-, diethylester (9CI);[4-(Decyloxy)-3-ethoxyanilino]methylenemalonic acid diethyl ester;
PSA
LogP

Propanedioic acid,2-[[[4-(decyloxy)-3-ethoxyphenyl]amino]methylene]-, 1,3-diethyl ester Specification

The CAS register number of Propanedioic acid,2-[[[4-(decyloxy)-3-ethoxyphenyl]amino]methylene]-, 1,3-diethyl ester is 26692-07-9. It also can be called as [4-(Decyloxy)-3-ethoxyanilino]methylenemalonic acid diethyl ester and the systematic name about this chemical is diethyl 2-[(4-decoxy-3-ethoxyanilino)methylidene]propanedioate. The molecular formula about this chemical is C₂₆H₄₁NO₆ and the molecular weight is 463.61464.

Physical properties about Propanedioic acid,2-[[[4-(decyloxy)-3-ethoxyphenyl]amino]methylene]-, 1,3-diethyl ester are: (1)ACD/LogP: 7.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.42; (4)ACD/LogD (pH 7.4): 7.42; (5)ACD/BCF (pH 5.5): 258337.3; (6)ACD/BCF (pH 7.4): 258337.86; (7)ACD/KOC (pH 5.5): 260386.19; (8)ACD/KOC (pH 7.4): 260386.77; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 74.3 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 131.42 cm³; (15)Molar Volume: 437.8 cm³; (16)Polarizability: 52.1x10^-24cm³; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.058 g/cm³; (19)Flash Point: 270 °C; (20)Enthalpy of Vaporization: 79.64 kJ/mol; (21)Boiling Point: 522.9 °C at 760 mmHg; (22)Vapour Pressure: 4.98E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)/C(C(=O)OCC)=C\Nc1cc(OCC)c(OCCCCCCCCCC)cc1
(2)InChI: InChI=1/C26H41NO6/c1-5-9-10-11-12-13-14-15-18-33-23-17-16-21(19-24(23)30-6-2)27-20-22(25(28)31-7-3)26(29)32-8-4/h16-17,19-20,27H,5-15,18H2,1-4H3
(3)InChIKey: IYBVBQKQALCQIP-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C26H41NO6/c1-5-9-10-11-12-13-14-15-18-33-23-17-16-21(19-24(23)30-6-2)27-20-22(25(28)31-7-3)26(29)32-8-4/h16-17,19-20,27H,5-15,18H2,1-4H3
(5)Std. InChIKey: IYBVBQKQALCQIP-UHFFFAOYSA-N

Product Name

diethyl (4-decyloxy-3-ethoxyanilino)methylenemalonate

Propanedioic acid,2-[[[4-(decyloxy)-3-ethoxyphenyl]amino]methylene]-, 1,3-diethyl ester Specification

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