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CAS No.: | 2360-20-5 |
---|---|
Name: | 3,4-DIAMINO-BENZENESULFONAMIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H9N3O2S |
Molecular Weight: | 187.222 |
Synonyms: | 3,4-Diaminobenzene-1-sulfonamide; |
Density: | 1.522 g/cm3 |
Melting Point: | 160 °C |
Boiling Point: | 475.9 °C at 760 mmHg |
Flash Point: | 241.6 °C |
Hazard Symbols: | Xi |
PSA: | 120.58000 |
LogP: | 2.44190 |
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The Benzenesulfonamide,3,4-diamino-, with the CAS registry number 2360-20-5, is also known as 3,4-Diaminobenzenesulphonamide 95+%. It belongs to the product categories of Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C6H9N3O2S and molecular weight is 187.22. Its IUPAC name is called 3,4-diaminobenzenesulfonamide. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzenesulfonamide,3,4-diamino-: (1)ACD/LogP: -1.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -1.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.35; (8)ACD/KOC (pH 7.4): 2.35; (9)#H bond acceptors: 5; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.679; (13)Molar Refractivity: 46.42 cm3; (14)Molar Volume: 122.9 cm3; (15)Surface Tension: 81 dyne/cm; (16)Density: 1.522 g/cm3; (17)Flash Point: 241.6 °C; (18)Enthalpy of Vaporization: 73.95 kJ/mol; (19)Boiling Point: 475.9 °C at 760 mmHg; (20)Vapour Pressure: 3.19E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)N)N)N
(2)InChI: InChI=1S/C6H9N3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,7-8H2,(H2,9,10,11)
(3)InChIKey: QULXUUQWVHVHSM-UHFFFAOYSA-N