CAS No.53839-71-7,Viaminate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53839-71-7
Name:	Viaminate
Article Data:	2

Formula:	C₂₉H₃₇NO₃
Molecular Weight:	447.618
Synonyms:	N-(p-Ethoxycarbonylphenyl)retinamide;15-{[4-(Ethoxycarbonyl)phenyl]amino}retinal;Viaminate;4-(Ethoxycarbophenyl)retinamide;N-(4-(Ethoxycarbonyl)phenyl)retinamide;
EINECS:	000-000-0
Density:	1.071 g/cm³
Boiling Point:	619.362 °C at 760 mmHg
Flash Point:	328.379 °C
PSA:	55.40000
LogP:	7.40640

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Specification

The Viaminate, with the CAS registry number 53839-71-7, is also known as N-(p-Ethoxycarbonylphenyl)retinamide. This chemical's molecular formula is C₂₉H₃₇NO₃ and molecular weight is 447.61. What's more, its systematic name is 15-{[4-(Ethoxycarbonyl)phenyl]amino}retinal.

Physical properties of Viaminate are: (1)ACD/LogP: 7.326; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.33; (4)ACD/LogD (pH 7.4): 7.33; (5)ACD/BCF (pH 5.5): 217644.90; (6)ACD/BCF (pH 7.4): 217643.30; (7)ACD/KOC (pH 5.5): 230322.10; (8)ACD/KOC (pH 7.4): 230320.40; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 139.579 cm³; (15)Molar Volume: 417.892 cm³; (16)Polarizability: 55.334×10^-24cm³; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.071 g/cm³; (19)Flash Point: 328.379 °C; (20)Enthalpy of Vaporization: 91.81 kJ/mol; (21)Boiling Point: 619.362 °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(OCC)c1ccc(cc1)NC(=O)\C=C(\C=C\C=C(\C=C\C2=C(\CCCC2(C)C)C)C)C
(2)Std. InChI: InChI=1S/C29H37NO3/c1-7-33-28(32)24-14-16-25(17-15-24)30-27(31)20-22(3)11-8-10-21(2)13-18-26-23(4)12-9-19-29(26,5)6/h8,10-11,13-18,20H,7,9,12,19H2,1-6H3,(H,30,31)/b11-8+,18-13+,21-10+,22-20+
(3)Std. InChIKey: VRSMJNVXOITYPE-FSDIUQKZSA-N