BAPTA tetraethyl ester - ≥98% , CAS No.73630-07-6

CAS: 73630-07-6 Cat. No.: B133580 분자식: C₃₀H₄₀N₂O₁₀ 분자량: 588.66

GRADE & PURITY ≥98%

Synonyms

YCA63007 | tetraethyl 2,2',2'',2'''-(2,2'-(ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanetriyl)tetraacetate | BAPTA tetraethyl ester | SR-01000397076-1 | FT-0641475 | MFCD00532663 | ethyl 2-[[2-[2-[2-[bis(2-ethoxy-2-oxidanylidene-ethyl)amino]phenoxy

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

YCA63007 | tetraethyl 2,2',2'',2'''-(2,2'-(ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanetriyl)tetraacetate | BAPTA tetraethyl ester | SR-01000397076-1 | FT-0641475 | MFCD00532663 | ethyl 2-[[2-[2-[2-[bis(2-ethoxy-2-oxidanylidene-ethyl)amino]phenoxy

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488189538
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189538
• 정식 스마일: CCOC(=O)CN(CC(=O)OCC)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCC)CC(=O)OCC
• IUPAC Name: ethyl 2-[2-[2-[2-[bis(2-ethoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-ethoxy-2-oxoethyl)anilino]acetate
• InChIKey: OLXCPQDFHUCXBA-UHFFFAOYSA-N
• INCHI: 1S/C30H40N2O10/c1-5-37-27(33)19-31(20-28(34)38-6-2)23-13-9-11-15-25(23)41-17-18-42-26-16-12-10-14-24(26)32(21-29(35)39-7-3)22-30(36)40-8-4/h9-16H,5-8,17-22H2,1-4H3
• 이성체 SMILES: CCOC(=O)CN(CC(=O)OCC)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCC)CC(=O)OCC
• 분자량: 588.66
• Reaxy-Rn: 7064680
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7064680&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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 Carboxylic acid 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 - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Ether - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 녹는점(°C): 98-102℃
• 분자량: 588.600 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 23
• Exact Mass: 588.268 Da
• Monoisotopic Mass: 588.268 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 720.000
• 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