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CAS No.: | 21136-70-9 |
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Name: | [1,1'-Biphenyl]-4,4'-diamine sulphate |
Molecular Structure: | |
Formula: | C12H12N2.H2SO4 |
Molecular Weight: | 748.881 |
Synonyms: | Benzidine sulfate;4,4'-Diaminobiphenyl sulphate;4,4'-Diaminodiphenylene sulfate; |
EINECS: | 244-236-4 |
Density: | 1.156g/cm3 |
Melting Point: | 120oC |
Boiling Point: | 358.7 °C at 760 mmHg |
Flash Point: | 203.5 °C |
PSA: | 135.02000 |
LogP: | 4.10840 |
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The Benzidine sulphate with the cas number 21136-70-9 is also called 4,4'-Diaminodiphenylene sulfate. The systematic name is biphenyl-4,4'-diaminium sulfate. Its EINECS registry number is 244-236-4. The molecular formula is C12H12N2.H2SO4.
The properties of the chemical are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 7.83; (6)ACD/BCF (pH 7.4): 9.06; (7)ACD/KOC (pH 5.5): 145.68; (8)ACD/KOC (pH 7.4): 168.41; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Enthalpy of Vaporization: 60.43 kJ/mol; (14)Vapour Pressure: 2.5×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1(c2ccc(cc2)N)ccc(cc1)N.S(=O)(=O)(O)O
(2)InChI: InChI=1/C12H12N2.H2O4S/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-5(2,3)4/h1-8H,13-14H2;(H2,1,2,3,4)