5,5'-Dibromo BAPTA tetrapotassium - ≥95% , CAS No.73630-11-2

CAS: 73630-11-2 Cat. No.: D131298 Formula: C₂₂H₁₈Br₂K₄N₂O₁₀ Peso molecolare: 786.59

GRADE & PURITY ≥95%

Synonyms

1,2-Bis(2-Amino-5-bromophenoxy)ethane-N,N,N',N'-tetraacetic acid | 5,5'-Dibromo-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid | N,N'-(1,2-ethanediylbis(oxy(4-bromo-2,1-phenylene)))bis(N-(carboxymethyl))glycine | Q27129474 | SCHEMBL1230996 | 5,5

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

1,2-Bis(2-Amino-5-bromophenoxy)ethane-N,N,N',N'-tetraacetic acid | 5,5'-Dibromo-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid | N,N'-(1,2-ethanediylbis(oxy(4-bromo-2,1-phenylene)))bis(N-(carboxymethyl))glycine | Q27129474 | SCHEMBL1230996 | 5,5

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C1=CC(=C(C=C1Br)OCCOC2=C(C=CC(=C2)Br)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
• IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-bromophenoxy]ethoxy]-4-bromo-N-(carboxymethyl)anilino]acetic acid
• InChIKey: KCTRRYZOCJDOTC-UHFFFAOYSA-N
• INCHI: 1S/C22H22Br2N2O10/c23-13-1-3-15(25(9-19(27)28)10-20(29)30)17(7-13)35-5-6-36-18-8-14(24)2-4-16(18)26(11-21(31)32)12-22(33)34/h1-4,7-8H,5-6,9-12H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)
• Isomeri SMILES: C1=CC(=C(C=C1Br)OCCOC2=C(C=CC(=C2)Br)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
• Peso molecolare: 786.59
• Reaxy-Rn: 10221954
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10221954&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Alpha amino acids Aminophenyl ethers Phenoxy compounds Dialkylarylamines Aniline and substituted anilines Bromobenzenes Alkyl aryl ethers Aryl bromides Amino acids Carboxylic acids Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Aminophenyl ether - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxylic acid - Ether - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• External Descriptors: polyamino carboxylic acid

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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 634.200 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 15
• Exact Mass: 633.962 Da
• Monoisotopic Mass: 631.964 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 679.000
• 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

Domande frequenti

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 73630-11-2, the molecular formula is C22H22Br2N2O10, and the molecular weight is 786.59 g/mol. InChIKey KCTRRYZOCJDOTC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.