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CAS No.: | 24675-13-6 |
---|---|
Name: | 4-(2-benzooxazol-2-ylethenyl)-N,N-dimethyl-aniline |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C17H16N2O |
Molecular Weight: | 264.327 |
Synonyms: | Benzoxazole,2-[p-(dimethylamino)styryl]- (6CI,7CI,8CI);2-(4-Dimethylaminostyryl)benzoxazole;2-(p-Dimethylaminostyryl)benzoxazole;N282;NK 1342;NSC 151861; |
Density: | 1.197 g/cm3 |
Melting Point: | 174-176 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 451.5 °C at 760 mmHg |
Flash Point: | 226.9 °C |
PSA: | 29.27000 |
LogP: | 4.06420 |
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The CAS register number of 4-(2-Benzooxazol-2-ylethenyl)-N,N-dimethylaniline is 24675-13-6. It also can be called as Benzoxazole,2-[p-(dimethylamino)styryl]- (6CI,7CI,8CI) and the systematic name about this chemical is 4-[2-(1,3-benzoxazol-2-yl)ethenyl]-N,N-dimethylaniline. The molecular formula about this chemical is C17H16N2O and the molecular weight is 264.33.
Physical properties about 4-(2-Benzooxazol-2-ylethenyl)-N,N-dimethylaniline are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 29.27 Å2; (6)Index of Refraction: 1.709; (7)Molar Refractivity: 86.19 cm3; (8)Molar Volume: 220.7 cm3; (9)Polarizability: 34.16x10-24cm3; (10)Surface Tension: 53 dyne/cm; (11)Density: 1.197 g/cm3; (12)Flash Point: 226.9 °C; (13)Enthalpy of Vaporization: 71.06 kJ/mol; (14)Boiling Point: 451.5 °C at 760 mmHg; (15)Vapour Pressure: 2.41E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c3ccccc3oc1C=Cc2ccc(N(C)C)cc2
(2)InChI: InChI=1/C17H16N2O/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3
(3)InChIKey: DQOPDYYQICTYEY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C17H16N2O/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3
(5)Std. InChIKey: DQOPDYYQICTYEY-UHFFFAOYSA-N