N-(1,3-Dimethylbutyl)-N'-phenyl-p-quinone diimine supplier

Name
Benzenamine, N-4-(1,3-dimethylbutyl)imino-2,5-cyclohexadien-1-ylidene-
EINECS 429-640-2
CAS No. 52870-46-9
Density 0.97 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₂N₂
Boiling Point 338.4 °C at 760 mmHg
Molecular Weight 266.18
Flash Point 150.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6QDI;N-(1,3-Dimethylbutyl)-N'-phenylcyclohexa-2,5-diene-1,4-diimine;N-(1,3-Dimethylbutyl)-N'-phenylquinone diimine;Q-Flex QDI;
PSA 24.72000
LogP 4.76070

N-(1,3-Dimethylbutyl)-N'-phenyl-p-quinone diimine Specification

The systematic name of this chemical is Benzenamine,N-[4-[(1,3-dimethylbutyl)imino]-2,5-cyclohexadien-1-ylidene]-. With the CAS registry number 52870-46-9, it is also named as N-{4-[(4-Methylpentan-2-yl)imino]cyclohexa-2,5-dien-1-ylidene}aniline. In addition, the molecular formula is C₁₈H₂₂N₂ and the molecular weight is 266.18. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 4.89; (2)ACD/LogD (pH 5.5): 4.87; (3)ACD/LogD (pH 7.4): 4.89; (4)ACD/BCF (pH 5.5): 2949.19; (5)ACD/BCF (pH 7.4): 3084.36; (6)ACD/KOC (pH 5.5): 10461.76; (7)ACD/KOC (pH 7.4): 10941.25; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 24.72 Å²; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 85.95 cm³; (13)Molar Volume: 272.1 cm³; (14)Polarizability: 34.07 ×10^-24cm³; (15)Surface Tension: 33.8 dyne/cm; (16)Density: 0.97 g/cm³; (17)Flash Point: 150.6 °C; (18)Enthalpy of Vaporization: 55.87 kJ/mol; (19)Boiling Point: 338.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000193 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)CC(C)N=C1C=CC(=Nc2ccccc2)C=C1
(2)Std. InChI: InChI=1S/C18H22N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15H,13H2,1-3H3/b19-17-,20-18?
(3)Std. InChIKey: LTVAIOLMQDKZTP-ZZSQLFNXSA-N

Product Name

Benzenamine, N-4-(1,3-dimethylbutyl)imino-2,5-cyclohexadien-1-ylidene-

N-(1,3-Dimethylbutyl)-N'-phenyl-p-quinone diimine Specification

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