Stk092848 - ≥95% , CAS No.13017-47-5

CAS: 13017-47-5 Cat. No.: S1359043 Formula: C₁₁H₁₉N₇O₂ Molecular Weight: 281.31

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1COCCN1C2=NC(=NC(=N2)NN)N3CCOCC3
• IUPAC Name: (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazine
• InChIKey: PDVPMTPDISUWSY-UHFFFAOYSA-N
• INCHI: 1S/C11H19N7O2/c12-16-9-13-10(17-1-5-19-6-2-17)15-11(14-9)18-3-7-20-8-4-18/h1-8,12H2,(H,13,14,15,16)
• Molecular Weight: 281.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: Dialkylarylamines Morpholines 1,3,5-triazines Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - 2,4-diamine-s-triazine - Morpholine - Oxazinane - 1,3,5-triazine - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrazine derivative - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine 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

Chemical and Physical Properties

• Molecular Weight: 281.310 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 281.16 Da
• Monoisotopic Mass: 281.16 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 270.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13017-47-5, the molecular formula is C11H19N7O2, and the molecular weight is 281.31 g/mol. InChIKey PDVPMTPDISUWSY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.