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CAS No.: | 54760-75-7 |
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Name: | 4,4'-DIAMINOSTILBENE DIHYDROCHLORIDE |
Molecular Structure: | |
Formula: | C14H14N2.2(HCl) |
Molecular Weight: | 283.2 |
Synonyms: | 4,4'-(E)-Ethene-1,2-diyldianiline dihydrochloride;4,4'-(E)-Ethene-1,2-diyldianilinium dichloride;4,4'-Diaminostilbene Dihydrochloride; |
EINECS: | 266-431-3 |
Density: | 1.186 g/cm3 |
Melting Point: |
>300 °C(lit.) |
Boiling Point: | 438.5 °C at 760 mmHg |
Flash Point: | 262.5 °C |
PSA: | 52.04000 |
LogP: | 5.78780 |
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The 4,4'-Diaminostilbene dihydrochloride with cas registry number of 54760-75-7, belongs to the following product categorie: stilbenes. Its systematic name is 4,4'-(E)-ethene-1,2-diyldianilinium dichloride. And its IUPAC name is 4-[(e)-2-(4-aminophenyl)ethenyl]aniline.
Physical properties about this chemical are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 26.63; (6)ACD/BCF (pH 7.4): 31.15; (7)ACD/KOC (pH 5.5): 348.53; (8)ACD/KOC (pH 7.4): 407.72; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Enthalpy of Vaporization: 69.53 kJ/mol; (14)Vapour Pressure: 6.89E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[Cl-].C(=C/c1ccc(cc1)[NH3+])\c2ccc(cc2)[NH3+];
(2)InChI: InChI=1/C14H14N2.2ClH/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;;/h1-10H,15-16H2;2*1H/b2-1+;;;
(3)InChIKey: QHDAFTKIEDDTPV-SEPHDYHBBM;
(4)Std. InChI: InChI=1S/C14H14N2.2ClH/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12;;/h1-10H,15-16H2;2*1H/b2-1+;;;
(5)Std. InChIKey: QHDAFTKIEDDTPV-SEPHDYHBSA-N