3'-[4-(4-Phenylbutoxy)benzoylamino]-2'-hydroxyacetophenone supplier

Name
3''-ACETYL-2''-HYDROXY-4-(4-PHENYLBUTOXY)BENZANILIDE
EINECS 416-150-9
CAS No. 136450-06-1
Article Data6
CAS DataBase
Density 1.213g/cm³
Solubility
Melting Point
Formula C₂₅H₂₅NO₄
Boiling Point 528 oC at 760mmHg
Molecular Weight 403.478
Flash Point 273.2 oC
Transport Information
Appearance
Safety 61
Risk Codes 53
Molecular Structure
Hazard Symbols
Synonyms 3-[4-(4-Phenylbutoxy)benzoylamino]-2-hydroxyacetophenone;1VR BQ CMVR DO4R;
PSA 75.63000
LogP 5.32180

3'-[4-(4-Phenylbutoxy)benzoylamino]-2'-hydroxyacetophenone Specification

The 3-[4-(4-Phenylbutoxy)benzoylamino]-2-hydroxyacetophenone with the cas number 136450-06-1 is also called Benzamide, N-(3-acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)-. The systematic name is N-(3-acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide. Its EINECS registry number is 416-150-9. The molecular formula is C₂₅H₂₅NO₄.

The properties of the chemical are: (1)ACD/LogP: 6.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.62; (4)ACD/LogD (pH 7.4): 6.61; (5)ACD/BCF (pH 5.5): 63065.36; (6)ACD/BCF (pH 7.4): 62233.26; (7)ACD/KOC (pH 5.5): 94896.59; (8)ACD/KOC (pH 7.4): 93644.5; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 117.8 cm³; (15)Molar Volume: 332.4 cm³; (16)Polarizability: 46.7×10^-24cm³; (17)Surface Tension: 52.5 dyne/cm; (18)Enthalpy of Vaporization: 83.3 kJ/mol; (19)Vapour Pressure: 9.1×10^-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c3cccc(NC(=O)c2ccc(OCCCCc1ccccc1)cc2)c3O)C
(2)InChI: InChI=1/C25H25NO4/c1-18(27)22-11-7-12-23(24(22)28)26-25(29)20-13-15-21(16-14-20)30-17-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,11-16,28H,5-6,10,17H2,1H3,(H,26,29)
(3)InChIKey: NTUBQTVFDLDHRH-UHFFFAOYAH

Product Name

3''-ACETYL-2''-HYDROXY-4-(4-PHENYLBUTOXY)BENZANILIDE

3'-[4-(4-Phenylbutoxy)benzoylamino]-2'-hydroxyacetophenone Specification

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