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CAS No.: | 16803-97-7 |
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Name: | 4,4'-Diaminobenzenesulphanilide |
Molecular Structure: | |
Formula: | C12H13N3O2S |
Molecular Weight: | 263.32 |
Synonyms: | 4-Amino-N-(4-aminophenyl)benzenesulfonamide;Benzenesulfonamide, 4-amino-N-(4-aminophenyl)-;Bis-(4-aminophenyl)-sulfonamide;DASA; |
EINECS: | 240-834-4 |
Density: | 1.438 g/cm3 |
Melting Point: | 138 °C |
Boiling Point: | 511.3 °C at 760 mmHg |
Flash Point: | 263 °C |
Solubility: | 13.41g/L at 25℃ |
PSA: | 106.59000 |
LogP: | 4.09510 |
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The Benzenesulfonamide,4-amino-N-(4-aminophenyl)- with CAS registry number of 16803-97-7 is also known as 4,4'-Diaminobenzenesulphanilide. The systematic name is 4-Amino-N-(4-aminophenyl)benzenesulfonamide. Its EINECS registry number is 240-834-4. In addition, the formula is C12H13N3O2S and the molecular weight is 263.32.
Physical properties about Benzenesulfonamide,4-amino-N-(4-aminophenyl)- are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.705; (7)Molar Refractivity: 71.16 cm3; (8)Molar Volume: 183.1 cm3; (9)Surface Tension: 76.3 dyne/cm; (10)Density: 1.438 g/cm3; (11)Flash Point: 263 °C; (12)Enthalpy of Vaporization: 78.22 kJ/mol; (13)Boiling Point: 511.3 °C at 760 mmHg; (14)Vapour Pressure: 1.44E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=S(=O)(Nc1ccc(cc1)N)c2ccc(N)cc2
2. InChI: InChI=1/C12H13N3O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
3. InChIKey: LWOAIKNLRVQTFT-UHFFFAOYAD
4. Std. InChI: InChI=1S/C12H13N3O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2
5. Std. InChIKey: LWOAIKNLRVQTFT-UHFFFAOYSA-N