2,5-Bis[(1,3-dioxobutyl)amino]benzenesulfonic acid supplier

Name
2,5-BIS[(1,3-DIOXOBUTYL)AMINO]BENZENESULFONIC ACID
EINECS
CAS No. 70185-87-4
Density 1.493 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₆N₂O₇S
Boiling Point
Molecular Weight 356.351
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Bis[(1,3-dioxobutyl)amino]benzenesulfonic acid;
PSA 155.09000
LogP 1.99530

2,5-Bis[(1,3-dioxobutyl)amino]benzenesulfonic acid Specification

The CAS register number of 2,5-Bis[(1,3-dioxobutyl)amino]benzenesulfonic acid is 70185-87-4. It also can be called as Benzenesulfonic acid,2,5-bis[(1,3-dioxobutyl)amino]- and the IUPAC name about this chemical is 2,5-bis(3-oxobutanoylamino)benzenesulfonic acid. The molecular formula about this chemical is C₁₄H₁₆N₂O₇S and the molecular weight is 356.35. It belongs to the Organic acids.

Physical properties about 2,5-Bis[(1,3-dioxobutyl)amino]benzenesulfonic acid are: (1)ACD/LogP: -2.01; (2)ACD/LogD (pH 5.5): -5.51; (3)ACD/LogD (pH 7.4): -5.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 126.51Å²; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 81.9 cm³; (14)Molar Volume: 238.6 cm³; (15)Polarizability: 32.46x10^-24cm³; (16)Surface Tension: 71.7 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(ccc1NC(=O)CC(=O)C)NC(=O)CC(=O)C
(2)InChI: InChI=1/C14H16N2O7S/c1-8(17)5-13(19)15-10-3-4-11(12(7-10)24(21,22)23)16-14(20)6-9(2)18/h3-4,7H,5-6H2,1-2H3,(H,15,19)(H,16,20)(H,21,22,23)
(3)InChIKey: DIOSHTLNZVXJOF-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H16N2O7S/c1-8(17)5-13(19)15-10-3-4-11(12(7-10)24(21,22)23)16-14(20)6-9(2)18/h3-4,7H,5-6H2,1-2H3,(H,15,19)(H,16,20)(H,21,22,23)
(5)Std. InChIKey: DIOSHTLNZVXJOF-UHFFFAOYSA-N

Product Name

2,5-BIS[(1,3-DIOXOBUTYL)AMINO]BENZENESULFONIC ACID

2,5-Bis[(1,3-dioxobutyl)amino]benzenesulfonic acid Specification

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