4H-1-Benzopyran-4-one,2-(4-aminophenyl)-6-hydroxy- supplier

Name
Aminogenistein
EINECS
CAS No. 132018-32-7
Article Data1
CAS DataBase
Density 1.407 g/cm³
Solubility
Melting Point 193-194 °C
Formula C₁₅H₁₁NO₃
Boiling Point 516 °C at 760 mmHg
Molecular Weight 253.257
Flash Point 265.9 °C
Transport Information
Appearance Yellow Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aminogenistein;
PSA 76.46000
LogP 3.32900

4H-1-Benzopyran-4-one,2-(4-aminophenyl)-6-hydroxy- Specification

The 4H-1-Benzopyran-4-one,2-(4-aminophenyl)-6-hydroxy-, with the CAS registry number 132018-32-7, is also known as Aminogenistein. It belongs to the product categories of Flavon; Inhibitors; Protein Kinase Inhibitors and Activators; Tyrosine Kinase Inhibitors. This chemical's molecular formula is C₁₅H₁₁NO₃ and molecular weight is 253.2527. What's more, its IUPAC name and systematic name are the same which is called 2-(4-Aminophenyl)-6-hydroxychromen-4-one. It is yellow solid.

Physical properties about 4H-1-Benzopyran-4-one,2-(4-aminophenyl)-6-hydroxy-: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 25.45; (6)ACD/BCF (pH 7.4): 40.63; (7)ACD/KOC (pH 5.5): 306.29; (8)ACD/KOC (pH 7.4): 489.03; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77Å²; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 70.32 cm³; (15)Molar Volume: 179.9 cm³; (16)Surface Tension: 69 dyne/cm; (17)Density: 1.407 g/cm³; (18)Flash Point: 265.9 °C; (19)Enthalpy of Vaporization: 81.78 kJ/mol; (20)Boiling Point: 516 °C at 760 mmHg; (21)Vapour Pressure: 2.87E-11 mmHg at 25 °C; (22)Melting point: 193-194 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c3c(O/C(=C/1)c2ccc(N)cc2)ccc(O)c3
(2) InChI: InChI=1/C15H11NO3/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-8,17H,16H2
(3) InChIKey: YBQRUOMICVULNM-UHFFFAOYAW

Product Name

Aminogenistein

4H-1-Benzopyran-4-one,2-(4-aminophenyl)-6-hydroxy- Specification

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