BAPTA tetramethyl ester - ≥95% , CAS No.125367-34-2

CAS: 125367-34-2 Cat. No.: B131073 Peso molecular: 532.54 Número EC: 820-735-8

GRADE & PURITY ≥95%

Synonyms

MFCD00532664 | SR-01000397074-1 | AM62674 | RB3090 | Glycine, N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(2-methoxy-2-oxoethyl)-, 1,1'-dimethyl ester | FT-0662497 | Tetramethyl 2,2',2'',2'''-(((ethane-1,2-diylbis(oxy))-bis(2,1-phenylene))bis(azanetr

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00532664 | SR-01000397074-1 | AM62674 | RB3090 | Glycine, N, N'-[1, 2-ethanediylbis(oxy-2, 1-phenylene)]bis[N-(2-methoxy-2-oxoethyl)-, 1, 1'-dimethyl ester | FT-0662497 | Tetramethyl 2, 2', 2'', 2'''-(((ethane-1, 2-diylbis(oxy))-bis(2, 1-phenylene))bis(azanetr

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488194405
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194405
• Sonrisas canónicas: COC(=O)CN(CC(=O)OC)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OC)CC(=O)OC
• IUPAC Name: methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)anilino]acetate
• InChIKey: LCPLRKMZANZSAJ-UHFFFAOYSA-N
• INCHI: 1S/C26H32N2O10/c1-33-23(29)15-27(16-24(30)34-2)19-9-5-7-11-21(19)37-13-14-38-22-12-8-6-10-20(22)28(17-25(31)35-3)18-26(32)36-4/h5-12H,13-18H2,1-4H3
• Isómeros SMILES: COC(=O)CN(CC(=O)OC)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OC)CC(=O)OC
• Peso molecular: 532.54
• Reaxy-Rn: 9166084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9166084&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Alpha amino acid esters Aminophenyl ethers Phenoxy compounds Dialkylarylamines Aniline and substituted anilines Alkyl aryl ethers Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Tetracarboxylic acid or derivatives - Alpha-amino acid or derivatives - Aminophenyl ether - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Methyl ester - Amino acid or derivatives - Tertiary amine - Carboxylic acid ester - Ether - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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: Not available

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

Propiedades químicas y físicas

• Peso molecular: 532.500 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 19
• Exact Mass: 532.206 Da
• Monoisotopic Mass: 532.206 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 666.000
• 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