Aurintricarboxylic acid ammonium salt - CAS 569-58-4
Catalog: |
BB029542 |
Product Name: |
Aurintricarboxylic acid ammonium salt |
CAS: |
569-58-4 |
Synonyms: |
azane;5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid |
IUPAC Name: | azane;5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid |
Description: | Aurintricarboxylic acid ammonium salt (CAS# 569-58-4) is used in preparation method of amorphous silica-alumina catalyst for use in reaction of methanol and ammonia to produce monomethylamine, dimethylamine and trimethylamine. |
Molecular Weight: | 473.43 |
Molecular Formula: | C22H23N3O9 |
Canonical SMILES: | C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)O)C(=O)O)C(=O)O)O.N.N.N |
InChI: | InChI=1S/C22H14O9.3H3N/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);3*1H3 |
InChI Key: | AIPNSHNRCQOTRI-UHFFFAOYSA-N |
Boiling Point: | 759.6 °C at 760 mmHg |
Appearance: | Yellowish-brown solid |
LogP: | 3.41770 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-4311689-A | Method and container for production of diagnostic scanning | 19780302 |
PMID | Publication Date | Title | Journal |
25477506 | 20150116 | The quinone methide aurin is a heat shock response inducer that causes proteotoxic stress and Noxa-dependent apoptosis in malignant melanoma cells | The Journal of biological chemistry |
23947785 | 20130910 | Aurintricarboxylic acid modulates the affinity of hepatitis C virus NS3 helicase for both nucleic acid and ATP | Biochemistry |
22217416 | 20121001 | Selective inhibition of the membrane attack complex of complement by low molecular weight components of the aurin tricarboxylic acid synthetic complex | Neurobiology of aging |
22560163 | 20120601 | Novel optical PVC probes for on-site detection/determination of fluoroquinolones in a solid/liquid interface: application to the determination of Norfloxacin in aquaculture water | Biosensors & bioelectronics |
21805123 | 20120401 | Trimethylaurintricarboxylic acid inhibits human DNA methyltransferase 1: insights from enzymatic and molecular modeling studies | Journal of molecular modeling |
Complexity: | 841 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 4 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 473.14342932 |
Formal Charge: | 0 |
Heavy Atom Count: | 34 |
Hydrogen Bond Acceptor Count: | 12 |
Hydrogen Bond Donor Count: | 8 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 473.14342932 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 172 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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