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Tris[4-(diethylamino)phenyl]amine

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Name

Tris[4-(diethylamino)phenyl]amine

EINECS N/A
CAS No. 47743-70-4 Density 1.058 g/cm3
PSA 12.96000 LogP 7.69500
Solubility N/A Melting Point 104-106 °C
Formula C30H42N4 Boiling Point 595.94 °C at 760 mmHg
Molecular Weight 458.69 Flash Point 250.35 °C
Transport Information UN 3259 8/PG 2 Appearance N/A
Safety 26-27-28-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 47743-70-4 (TRIS(4-(DIETHYLAMINO)PHENYL)AMINE  99) Hazard Symbols CorrosiveC
Synonyms

1,4-Benzenediamine, N,N-bis(4-(diethylamino)phenyl)-N,N-diethyl-;N,N-Bis[4-(diethylamino)phenyl]-N',N'-diethyl-1,4-benzenediamine;N,N-Bis[4-(diethylamino)phenyl]-N',N'-diethylbenzene-1,4-diamine;

 

Tris[4-(diethylamino)phenyl]amine Specification

The Tris[4-(diethylamino)phenyl]amine, with the CAS registry number 47743-70-4, is also known as N,N-Bis[4-(diethylamino)phenyl]-N',N'-diethylbenzene-1,4-diamine. It belongs to the product categories of Hole Transporting Materials; Oled and PLED Materials; Organic Electronics and Photonics. This chemical's molecular formula is C30H42N4 and molecular weight is 458.68. What's more, its systematic name is N,N-Bis[4-(diethylamino)phenyl]-N',N'-diethyl-1,4-benzenediamine. This chemical should be sealed and stored in a cool and dry place. 

Physical properties of Tris[4-(diethylamino)phenyl]amine are: (1)ACD/LogP: 7.627; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 6.93; (5)ACD/BCF (pH 5.5): 79.96; (6)ACD/BCF (pH 7.4): 74563.64; (7)ACD/KOC (pH 5.5): 72.84; (8)ACD/KOC (pH 7.4): 67928.23; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 12.96 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 150.834 cm3; (15)Molar Volume: 433.607 cm3; (16)Polarizability: 59.795×10-24cm3; (17)Surface Tension: 45.0 dyne/cm; (18)Density: 1.058 g/cm3; (19)Flash Point: 250.35 °C; (20)Enthalpy of Vaporization: 88.796 kJ/mol; (21)Boiling Point: 595.94 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using Tris[4-(diethylamino)phenyl]amine, please be cautious about it as the following:
This chemical can cause burns. You should take off immediately all contaminated clothing. After contact with skin, you need wash immediately with plenty of water(to be specified by the manufacturer). In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccc(cc1)N(c2ccc(N(CC)CC)cc2)c3ccc(N(CC)CC)cc3)(CC)CC;
(2)Std. InChI: InChI=1S/C30H42N4/c1-7-31(8-2)25-13-19-28(20-14-25)34(29-21-15-26(16-22-29)32(9-3)10-4)30-23-17-27(18-24-30)33(11-5)12-6/h13-24H,7-12H2,1-6H3;
(3)Std. InChIKey: HWNGZPYALGWORF-UHFFFAOYSA-N;

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