CAS No.103188-49-4,(e)-3-(3,4-dihydroxyphenyl)-n-(2-(3,4-dihydroxyphenyl)ethyl)-2-propenaMide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103188-49-4
Name:	(e)-3-(3,4-dihydroxyphenyl)-n-(2-(3,4-dihydroxyphenyl)ethyl)-2-propenaMide
Article Data:	13

Formula:	C₁₇H₁₇NO₅
Molecular Weight:	315.326
Synonyms:	2-Propenamide,3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-, (2E)-;2-Propenamide, 3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-, (E)-;
Density:	1.409 g/cm³
Melting Point:	183 - 185 °C (ethyl acetate)
Boiling Point:	691.222 °C at 760 mmHg
Flash Point:	371.838 °C
PSA:	113.51000
LogP:	2.72140

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Specification

This product is an organic compound with the formula C₁₇H₁₇NO₅. The systematic name of this chemical is (2E)-3-(3,4-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]acrylamide. With the CAS registry number 103188-49-4, it is also named as 2-Propenamide,3-(3,4-dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-, (2E)-. In addition, the molecular weight is 315.32.

Physical properties of (2E)-3-(3,4-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]acrylamide are: (1)ACD/LogP: 1.188; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.71; (6)ACD/BCF (pH 7.4): 4.59; (7)ACD/KOC (pH 5.5): 105.50; (8)ACD/KOC (pH 7.4): 102.92; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 110.02 Å²; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 87.047 cm³; (15)Molar Volume: 223.779 cm³; (16)Polarizability: 34.508×10^-24cm³; (17)Surface Tension: 73.4079971313477 dyne/cm; (18)Density: 1.409 g/cm³; (19)Flash Point: 371.838 °C; (20)Enthalpy of Vaporization: 104.926 kJ/mol; (21)Boiling Point: 691.222 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\c1ccc(O)c(O)c1)NCCc2cc(O)c(O)cc2
(2)Std. InChI: InChI=1S/C17H17NO5/c19-13-4-1-11(9-15(13)21)3-6-17(23)18-8-7-12-2-5-14(20)16(22)10-12/h1-6,9-10,19-22H,7-8H2,(H,18,23)/b6-3+
(3)Std. InChIKey: FSMGGLPUXCKRGT-ZZXKWVIFSA-N