102000-59-9

Basic information

• Product Name: Benzoic acid, 2,6-diamino- (6CI,9CI)
• Synonyms: Benzoic acid, 2,6-diamino- (6CI,9CI)
• CAS NO: 102000-59-9
• Molecular Formula: C₇H₈N₂O₂
• Molecular Weight: 152.152
• Product Categories: CARBOXYLICACID
• Mol File: 102000-59-9.mol

Chemical Properties

• Boiling Point: 373°Cat760mmHg
• Flash Point: 179.4°C
• Appearance: /
• Density: 1.428g/cm³
• Vapor Pressure: 3.17E-06mmHg at 25°C
• Refractive Index: 1.71
• CAS DataBase Reference: Benzoic acid, 2,6-diamino- (6CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 2,6-diamino- (6CI,9CI)(102000-59-9)
• EPA Substance Registry System: Benzoic acid, 2,6-diamino- (6CI,9CI)(102000-59-9)

Safety Data

• Hazardous Substances Data: 102000-59-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H8N2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,8-9H2,(H,10,11)

Upstream product

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Relevant articles and documents

Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NH?O hydrogen bonds in nonpolar solvents

Readily soluble magnesium and zinc carboxylates [M(Ln)2(H2O)4] (MLn2) (M = Mg, Zn; L1 = O2C-2-Ar3CCONH-6-n-BuCONHC6H3; L2 = O2C-2-Ar3CCONHC6H4; Ar = 4-t-BuC6H4) containing intramolecular NH?O hydrogen bonds in nonpolar solvents were synthesized and their molecular structures were determined by X-ray analysis. The complexes were crystallized in the trans or cis configuration. The M-O bond distances were dependent on the mode of the hydrogen bonds. 1H NMR spectral measurements revealed a fast trans-cis isomerization of MLn2 in CDCl3, which was converted into a unique fac-[M(Ln)3(H2O)3]- (fac-[MLn3]-) by the addition of equimolar [Ln]-. The theoretical calculations supported the existence of the facial configuration. The coordinated water molecules of MLn2 were detected by 1H NMR spectroscopy and the acidity was estimated in the order of ML12 > ML22. Calcium afforded only the dinuclear complex, [Ca2(L1)2(H2O)5(1,4-dioxane)] (Ca2L14), which showed a low hydrolytic activity.

Regulation of the hydrolytic activity of Mg2+-dependent phosphatase models by intramolecular NH···O hydrogen bonds

Magnesium-dependent phosphatase models containing intramolecular NH···O hydrogen bonds were synthesized and structurally characterized by X-ray analysis. The Mg-O bond distances varied with the mode of the hydrogen bonds. 1H NMR spectra in nonp

4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS AND USE AS ENZYME INHIBITORS

Novel 2-amino-4H-3,1-benzoxazin-4-ones represented by the formula wherein R 1, R 2, R 3 and X are defined herein are useful as enzyme inhibitors in animals.