Chromoglicic acid - ≥98% , CAS No.1403767-15-6

CAS: 1403767-15-6 Cat. No.: C1301647 Molecular Weight: 384.27 PubChem CID: 72207875

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1COCC1N2CCNCC2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
• IUPAC Name: 1-(oxolan-3-yl)piperazine;2,2,2-trifluoroacetic acid
• InChIKey: DFWYBQJCWVDSEB-UHFFFAOYSA-N
• INCHI: 1S/C8H16N2O.2C2HF3O2/c1-6-11-7-8(1)10-4-2-9-3-5-10;2*3-2(4,5)1(6)7/h8-9H,1-7H2;2*(H,6,7)
• Isomeric SMILES: C1COCC1N2CCNCC2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
• PubChem CID: 72207875
• Molecular Weight: 384.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Oxolanes Alpha-halocarboxylic acids Trialkylamines Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Not available
• Substituents: N-alkylpiperazine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Oxolane - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Secondary amine - Oxacycle - Azacycle - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alkyl fluoride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group.
• 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

Chemical and Physical Properties

• Molecular Weight: 384.270 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 1
• Exact Mass: 384.112 Da
• Monoisotopic Mass: 384.112 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 207.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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