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Benzenepropanamide,N,N'-1,3-propanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy- (69851-61-2)

Identification
Name:Benzenepropanamide,N,N'-1,3-propanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy-
Synonyms:Irganox1019;N,N'-Bis(3,5-di-tert-butyl-4-hydroxyphenylpropionyl)trimethylenediamine;
CAS:69851-61-2
EINECS: 274-157-0
Molecular Formula: C37H58N2O4
Molecular Weight: 594.88
InChI: InChI=1/C37H58N2O4/c1-34(2,3)26-20-24(21-27(32(26)42)35(4,5)6)14-16-30(40)38-18-13-19-39-31(41)17-15-25-22-28(36(7,8)9)33(43)29(23-25)37(10,11)12/h20-23,42-43H,13-19H2,1-12H3,(H,38,40)(H,39,41)
Molecular Structure: (C37H58N2O4) Irganox1019;N,N'-Bis(3,5-di-tert-butyl-4-hydroxyphenylpropionyl)trimethylenediamine;
Properties
Density:1.036 g/cm3
Refractive index:1.529
Specification:

The cas register number of N,N'-Propane-1,3-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide] is 69851-61-2. It also can be called as Benzenepropanamide,N,N'-1,3-propanediylbis[3,5-bis(1,1-dimethylethyl)-4-hydroxy- and the IUPAC Name about this chemical is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]propyl]propanamide. It belongs to the Organics.

Physical properties about N,N'-Propane-1,3-diylbis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamide] are: (1)ACD/LogP: 7.74; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.73; (4)ACD/LogD (pH 7.4): 7.73; (5)ACD/BCF (pH 5.5): 445010.5; (6)ACD/BCF (pH 7.4): 445001.22; (7)ACD/KOC (pH 5.5): 384304.38; (8)ACD/KOC (pH 7.4): 384296.34; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 59.08Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 177.28 cm3; (15)Molar Volume: 573.9 cm3; (16)Polarizability: 70.27x10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Enthalpy of Vaporization: 107.67 kJ/mol; (19)Boiling Point: 711 °C at 760 mmHg; (20)Vapour Pressure: 6.91E-21 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCCNC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C37H58N2O4/c1-34(2,3)26-20-24(21-27(32(26)42)35(4,5)6)14-16-30(40)38-18-13-19-39-31(41)17-15-25-22-28(36(7,8)9)33(43)29(23-25)37(10,11)12/h20-23,42-43H,13-19H2,1-12H3,(H,38,40)(H,39,41)
(3)InChIKey: KJEKRODBOPOEGG-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C37H58N2O4/c1-34(2,3)26-20-24(21-27(32(26)42)35(4,5)6)14-16-30(40)38-18-13-19-39-31(41)17-15-25-22-28(36(7,8)9)33(43)29(23-25)37(10,11)12/h20-23,42-43H,13-19H2,1-12H3,(H,38,40)(H,39,41)
(5)Std. InChIKey: KJEKRODBOPOEGG-UHFFFAOYSA-N

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