CAS No.103188-46-1,(e)-n-(2-(3,4-dihydroxyphenyl)ethyl)-3-(4-hydroxyphenyl)-2-propenaMide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103188-46-1
Name:	(e)-n-(2-(3,4-dihydroxyphenyl)ethyl)-3-(4-hydroxyphenyl)-2-propenaMide
Article Data:	8

Formula:	C₁₇H₁₇NO₄
Molecular Weight:	299.326
Synonyms:	trans-4-Coumaroyldopamine;2-Propenamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-,(E)-;
Density:	1.328 g/cm³
Melting Point:	200 - 202 °C (ethyl acetate)
Boiling Point:	636.806 °C at 760 mmHg
Flash Point:	338.928 °C
PSA:	89.79000
LogP:	2.56640

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Specification

This product is an organic compound with the formula C₁₇H₁₇NO₄. The systematic name of this chemical is (2E)-N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)acrylamide. With the CAS registry number 103188-46-1, it is also named as 2-Propenamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-,(E)-. In addition, the molecular weight is 299.32.

Physical properties of (2E)-N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)acrylamide are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64 ; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.39; (6)ACD/BCF (pH 7.4): 10.26; (7)ACD/KOC (pH 5.5): 185.85; (8)ACD/KOC (pH 7.4): 183.55; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 89.79 Å²; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 85.165 cm³; (15)Molar Volume: 225.349 cm³; (16)Polarizability: 33.762×10^-24cm³; (17)Surface Tension: 65.0599975585938 dyne/cm; (18)Density: 1.328 g/cm³; (19)Flash Point: 338.928 °C; (20)Enthalpy of Vaporization: 97.507 kJ/mol; (21)Boiling Point: 636.806 °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)cc1)NCCc2cc(O)c(O)cc2
(2)Std. InChI: InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)4-8-17(22)18-10-9-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
(3)Std. InChIKey: KZUJJPCTENPKOE-XBXARRHUSA-N