Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Propanedinitrile,2-[(3,4-dihydroxyphenyl)methylene]-

Related Products

Hot Products

Name

Propanedinitrile,2-[(3,4-dihydroxyphenyl)methylene]-

EINECS N/A
CAS No. 118409-57-7 Density 1.428 g/cm3
PSA 88.04000 LogP 1.52836
Solubility N/A Melting Point 225oC
Formula C10H6N2O2 Boiling Point 421.1 °C at 760 mmHg
Molecular Weight 186.17 Flash Point 208.5 °C
Transport Information N/A Appearance Yellow-tan solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 118409-57-7 (AG 18) Hazard Symbols N/A
Synonyms

AG 18;2-(3,4-Dihydroxybenzylidene)malononitrile;Propanedinitrile,[(3,4-dihydroxyphenyl)methylene]- (9CI);(3,4-Dihydroxybenzylidene)malononitrile;RG 50858;TX 825;Tyrphostin 23;AG 18 (pharmaceutical);Tyrphostin AG 18;RG 50810;

Article Data 13

Propanedinitrile,2-[(3,4-dihydroxyphenyl)methylene]- Specification

The Propanedinitrile,2-[(3,4-dihydroxyphenyl)methylene]-, with its CAS registry number 118409-57-7, has the systematic name of (3,4-dihydroxybenzylidene)propanedinitrile. With its molecular foumula of C10H6N2O2, it has the formula weight of 186.17. For being a kind of yellow powder, it belongs to the product categories which include All Inhibitors; Inhibitors; Tyrosine Kinase Inhibitors; Protein Kinase; Intracellular Signaling. When store it, you should keep it sealed at 2-8 °C in the dry and well-ventilated place, and this chemical will not decompose if follow the using and storage specifications.

The characteristics of Propanedinitrile,2-[(3,4-dihydroxyphenyl)methylene]- are as follows: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.6; (5)ACD/BCF (pH 5.5): 3.24; (6)ACD/BCF (pH 7.4): 1.35; (7)ACD/KOC (pH 5.5): 80.4; (8)ACD/KOC (pH 7.4): 33.42; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.04 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 50.2 cm3; (15)Molar Volume: 130.3 cm3; (16)Polarizability: 19.9×10-24cm3; (17)Surface Tension: 82.4 dyne/cm; (18)Density: 1.428 g/cm3; (19)Flash Point: 208.5 °C; (20)Enthalpy of Vaporization: 70.13 kJ/mol; (21)Boiling Point: 421.1 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-07 mmHg at 25°C; (23)Exact Mass: 186.042927; (24)MonoIsotopic Mass: 186.042927; (25)Topological Polar Surface Area: 88 (26)Heavy Atom Count: 14; (27)Complexity: 313.

The chemical could be produced through the following way: Malononitrile could react with 3,4-dihydroxy-benzaldehyde to produce Propanedinitrile,2-[(3,4-dihydroxyphenyl)methylene]-. And this reaction needs 15 minutes in the condition of heating.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:N#C/C(C#N)=C\c1cc(O)c(O)cc1
(2)InChI:InChI=1/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H
(3)InChIKey:VTJXFTPMFYAJJU-UHFFFAOYAD

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 118409-57-7