Basic Information | Post buying leads | Suppliers |
Name |
4-Bromo-N,N-bis(4-butoxyphenyl)benzenamine |
EINECS | N/A |
CAS No. | 666711-17-7 | Density | 1.22 g/cm3 |
PSA | 21.70000 | LogP | 8.27670 |
Solubility | N/A | Melting Point |
N/A |
Formula | C26H30BrNO2 | Boiling Point | 558.23 °C at 760 mmHg |
Molecular Weight | 468.43 | Flash Point | 291.407 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-N,N-bis(4-butoxyphenyl)-aniline; |
The 4-Bromo-N,N-bis(4-butoxyphenyl)-Benzenamine, with the CAS registry number of 666711-17-7, is also known as 4-Bromo-N,N-bis(4-butoxyphenyl)-aniline. Its molecular formula is C26H30BrNO2 and molecular weight is 468.4259. What's more, its systematic name is N-(4-Bromophenyl)-4-butoxy-N-(4-butoxyphenyl)aniline.
Physical properties about the 4-Bromo-N,N-bis(4-butoxyphenyl)-Benzenamine are: (1)ACD/LogP: 9.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.272; (4)ACD/LogD (pH 7.4): 9.272; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2637101.5; (8)ACD/KOC (pH 7.4): 2637101.5; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 128.941 cm3; (15)Molar Volume: 383.823 cm3; (16)Surface Tension: 42.629 dyne/cm; (17)Density: 1.22 g/cm3; (18)Flash Point: 291.407 °C; (19)Enthalpy of Vaporization: 84.025 kJ/mol; (20)Boiling Point: 558.23 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCCCOc1ccc(cc1)N(c2ccc(cc2)OCCCC)c3ccc(cc3)Br
(2) InChI: InChI=1/C26H30BrNO2/c1-3-5-19-29-25-15-11-23(12-16-25)28(22-9-7-21(27)8-10-22)24-13-17-26(18-14-24)30-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3
(3) InChIKey: FGVGUBFOFAQQPG-UHFFFAOYAZ