3,3'-Diamino-4'-methoxyflavone supplier

Name
3,3'-Diamino-4'-methoxyflavone
EINECS 809-166-6
CAS No. 187585-11-1
Density 1.337 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₄N₂O₃
Boiling Point 479.2 °C at 760 mmHg
Molecular Weight 282.32
Flash Point 233.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3-Diamino-4-methoxyflavone;3-Amino-2-(3-amino-4-methoxyphenyl)-4H-1-benzopyran-4-one;3-amino-2-(3-amino-4-methoxy-phenyl)chromen-4-one;4H-1-Benzopyran-4-one, 3-amino-2-(3-amino-4-methoxyphenyl)-;
PSA 91.48000
LogP 3.79540

3,3'-Diamino-4'-methoxyflavone Specification

This chemical is called 3,3'-Diamino-4'-methoxyflavone, and its systematic name is 3-amino-2-(3-amino-4-methoxyphenyl)-4H-chromen-4-one. With the molecular formula of C₁₆H₁₄N₂O₃, its molecular weight is 282.32. The CAS registry number of this chemical is 187585-11-1, and its classification code is Mutation data.

Other characteristics of the 3,3'-Diamino-4'-methoxyflavonecan be summarised as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.24; (6)ACD/BCF (pH 7.4): 3.76; (7)ACD/KOC (pH 5.5): 77.37; (8)ACD/KOC (pH 7.4): 89.74; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.01 Å²; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 78.67 cm³; (15)Molar Volume: 211.1 cm³; (16)Polarizability: 31.18×10^-24cm³; (17)Surface Tension: 60.3 dyne/cm; (18)Density: 1.337 g/cm³; (19)Flash Point: 233.6 °C; (20)Enthalpy of Vaporization: 74.35 kJ/mol; (21)Boiling Point: 479.2 °C at 760 mmHg; (22)Vapour Pressure: 2.4E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C\1c3c(O/C(=C/1N)c2ccc(OC)c(N)c2)cccc3
2.InChI: InChI=1/C16H14N2O3/c1-20-13-7-6-9(8-11(13)17)16-14(18)15(19)10-4-2-3-5-12(10)21-16/h2-8H,17-18H2,1H3
3.InChIKey: HSRUZXHIEFFBHR-UHFFFAOYAV

Product Name

3,3'-Diamino-4'-methoxyflavone

3,3'-Diamino-4'-methoxyflavone Specification

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