Alizarin-Komplexon - hochrein, ≥98%, used for Alizarin-3-methyliminodiacetic acid has been used: for live staining of mineralized bone matrix to double-label the bone for dynamic bone histomorphometry[5] at the femoral mid-diaphysis in the rat as a label

CAS: 3952-78-1 Cat. No.: A108722 Summenformel: C₁₉H₁₅NO₈ Molekulargewicht: 385.32 Beilstein Registry Number: 2190028 EG-Nummer: 223-544-2

GRADE & PURITY High-purity, ≥98%

Synonyms

Alizarin-3-methylimino-N,N-diacetic Acid | 1,2-DIHYDROXYANTHRAQUINONE-3-METHYLAMINE-N,N-DIACETIC ACID | 3-Aminomethylalizarin-N,N-diacetic acid | Acetic acid, (((3,4-dihydroxy-2-anthraquinonyl)methyl)imino)di- | Alizarin-3-methyliminodiacetic acid | 3-Ami

Storage

Room temperature

Shipped In

Normal

Übersicht

Alizarin-3-Methyliminodiessigsäure wird für den kolorimetrischen Nachweis von Fluor verwendet. Es ist ein Farbstoff, der zum Anfärben mineralisierter Knochen von Wirbeltierkonserven verwendet wird

Specifications

Synonyme

Alizarin-3-methylimino-N,N-diacetic Acid | 1,2-DIHYDROXYANTHRAQUINONE-3-METHYLAMINE-N,N-DIACETIC ACID | 3-Aminomethylalizarin-N,N-diacetic acid | Acetic acid, (((3,4-dihydroxy-2-anthraquinonyl)methyl)imino)di- | Alizarin-3-methyliminodiacetic acid | 3-Ami

Spezifikationen & Reinheit

hochrein, ≥98%

Anmeldung

Alizarin-3-methyliminodiacetic acid has been used: for live staining of mineralized bone matrix to double-label the bone for dynamic bone histomorphometry[5] at the femoral mid-diaphysis in the rat as a label in histomorphometry of the tibial diaphysis to

Storage

Room temperature

Verschickt in

Normal

Note

High-purity

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488183669

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183669

Kanonisches Lächeln

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3)CN(CC(=O)O)CC(=O)O)O)O

IUPAC Name

2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid

InChIKey

PWIGYBONXWGOQE-UHFFFAOYSA-N

INCHI

1S/C19H15NO8/c21-13(22)7-20(8-14(23)24)6-9-5-12-15(19(28)16(9)25)18(27)11-4-2-1-3-10(11)17(12)26/h1-5,25,28H,6-8H2,(H,21,22)(H,23,24)

Isomere SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3)CN(CC(=O)O)CC(=O)O)O)O

WGK Deutschland

3

RTECS

AH0585000

Alternative CAS-Nummer

455303-00-1

Molekulargewicht

385.32

Beilstein

2190028

Reaxy-Rn

2190028

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2190028&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyanthraquinones
• Alternative Parents: Alpha amino acids Aryl ketones Aralkylamines 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous acids Trialkylamines Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hydroxyanthraquinone - Alpha-amino acid - Alpha-amino acid or derivatives - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Dicarboxylic acid or derivatives - Vinylogous acid - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxyanthraquinones. These are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group.
• External Descriptors: dicarboxylic acid - dihydroxyanthraquinone

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 190°C
• Molekulargewicht: 385.300 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 385.08 Da
• Monoisotopic Mass: 385.08 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 648.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1