Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(2E)-N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)acrylamide |
EINECS | N/A |
CAS No. | 103188-46-1 | Density | 1.328 g/cm3 |
PSA | 89.79000 | LogP | 2.56640 |
Solubility | N/A | Melting Point |
200 - 202 °C (ethyl acetate) |
Formula | C17H17NO4 | Boiling Point | 636.806 °C at 760 mmHg |
Molecular Weight | 299.326 | Flash Point | 338.928 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
trans-4-Coumaroyldopamine;2-Propenamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-,(E)-; |
Article Data | 8 |
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