Hexahydropyridazine - ≥95% , CAS No.505-19-1

CAS: 505-19-1 Cat. No.: H695719 Molecular Weight: 86.14 PubChem CID: 136334

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CCNNC1
• IUPAC Name: diazinane
• InChIKey: HTFFABIIOAKIBH-UHFFFAOYSA-N
• INCHI: 1S/C4H10N2/c1-2-4-6-5-3-1/h5-6H,1-4H2
• Isomeric SMILES: C1CCNNC1
• Alternate CAS: 505-19-1
• PubChem CID: 136334
• NSC Number: 142576
• Molecular Weight: 86.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Diazinanes
• Alternative Parents: Azacyclic compounds Alkylhydrazines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,2-diazinane - Alkylhydrazine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Hydrazine derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diazinanes. These are organic compounds containing diazinane, a six-membered saturated heterocycle containing four carbon atoms and two nitrogen 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: 86.140 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 86.0844 Da
• Monoisotopic Mass: 86.0844 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 30.500
• 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