GRADE & PURITY ≥97%

Synonyms

AKOS024015910 | PB33612 | 4,7-Diazaspiro[2.5]octane oxalate | 4,7-DIAZA-SPIRO[2.5]OCTANE OXALATE | AS-34286 | 4,7-Diazaspiro[2.5]octaneoxalate | SY098629 | 4,7-Diazaspiro[2.5]octane, ethanedioate (1:1) | 4,7-diazaspiro[2.5]octane;oxalic acid | MFCD2241525

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS024015910 | PB33612 | 4, 7-Diazaspiro[2.5]octane oxalate | 4, 7-DIAZA-SPIRO[2.5]OCTANE OXALATE | AS-34286 | 4, 7-Diazaspiro[2.5]octaneoxalate | SY098629 | 4, 7-Diazaspiro[2.5]octane, ethanedioate (1:1) | 4, 7-diazaspiro[2.5]octane;oxalic acid | MFCD2241525

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC12CNCCN2.C(=O)(C(=O)O)O
• IUPAC Name: 4,7-diazaspiro[2.5]octane;oxalic acid
• InChIKey: JKTRMKCHMLQDJM-UHFFFAOYSA-N
• INCHI: 1S/C6H12N2.C2H2O4/c1-2-6(1)5-7-3-4-8-6;3-1(4)2(5)6/h7-8H,1-5H2;(H,3,4)(H,5,6)
• Isomeric SMILES: C1CC12CNCCN2.C(=O)(C(=O)O)O
• PubChem CID: 72207633
• Molecular Weight: 202.21

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: Piperazines
• Alternative Parents: Dicarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Dicarboxylic acid or derivatives - Piperazine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
• 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: 202.210 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 202.095 Da
• Monoisotopic Mass: 202.095 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 168.000
• 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: 2

XLogP3