Name: (2E)-N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-[4-(1,1-DIMETHYLETHYL)PHENYL]-2-PROPENAMIDE
SKU: 545395-94-6

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Basic Information

Molecular Structure:
CAS No.:	545395-94-6
Name:	(2E)-N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-[4-(1,1-DIMETHYLETHYL)PHENYL]-2-PROPENAMIDE

Formula:	C₂₁H₂₃NO₃
Molecular Weight:	337.41
Synonyms:	(2E)-N-(2H,3H-Benzo[3,4-e]-1,4-dioxan-6-yl)-3-[4-(tert-butyl)phenyl]prop-2-enamide;AMG 9810;
Density:	1.175 g/cm³
Boiling Point:	512.5 °C at 760 mmHg
Flash Point:	263.8 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	47.56000
LogP:	4.48020

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Specification

The 2-Propenamide,N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1,1-dimethylethyl)phenyl]-, (2E)-, with the CAS registry number 545395-94-6, is also known as (E)-3-(4-t-Butylphenyl)-N-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide. It belongs to the product category of Vanilloid/TRPV channel. This chemical's molecular formula is C₂₁H₂₃NO₃ and molecular weight is 337.41. Its systematic name is called (2E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide. When you are using this chemical, please be cautious about it, it may cause damage to health.

Physical properties of 2-Propenamide,N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(1,1-dimethylethyl)phenyl]-, (2E)-: (1)ACD/LogP: 5.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.46; (4)ACD/LogD (pH 7.4): 5.46; (5)ACD/BCF (pH 5.5): 8379.65; (6)ACD/BCF (pH 7.4): 8379.78; (7)ACD/KOC (pH 5.5): 22378.53; (8)ACD/KOC (pH 7.4): 22378.88; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 100.51 cm³; (14)Molar Volume: 286.9 cm³; (15)Surface Tension: 47.3 dyne/cm; (16)Density: 1.175 g/cm³; (17)Flash Point: 263.8 °C; (18)Enthalpy of Vaporization: 78.38 kJ/mol; (19)Boiling Point: 512.5 °C at 760 mmHg; (20)Vapour Pressure: 1.28E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C\c1ccc(cc1)C(C)(C)C)Nc2ccc3OCCOc3c2
(2)InChI: InChI=1/C21H23NO3/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18/h4-11,14H,12-13H2,1-3H3,(H,22,23)/b11-6+
(3)InChIKey: GZTFUVZVLYUPRG-IZZDOVSWBH