4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-morpholinium tetrafluoroborate - ≥98% , CAS No.293311-03-2

CAS: 293311-03-2 Cat. No.: D293031 Molecular Weight: 328.07 EC Number: 695-570-6 PubChem CID: 11631268

GRADE & PURITY ≥98%

Synonyms

N-methyl-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholinium tetrafluoroborate | 4-[4,6-bis(methyloxy)-1,3,5-triazin-2-yl]-4-methylmorpholin-4-ium tetrafluoroborate | 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate | SY019108 | AS

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

N-methyl-N-(4, 6-dimethoxy-1, 3, 5-triazin-2-yl)morpholinium tetrafluoroborate | 4-[4, 6-bis(methyloxy)-1, 3, 5-triazin-2-yl]-4-methylmorpholin-4-ium tetrafluoroborate | 4-(4, 6-dimethoxy-1, 3, 5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate | SY019108 | AS

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197633
• Canonical Smiles: [B-](F)(F)(F)F.C[N+]1(CCOCC1)C2=NC(=NC(=N2)OC)OC
• IUPAC Name: 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium;tetrafluoroborate
• InChIKey: LCRXDNPNQMIQFZ-UHFFFAOYSA-N
• INCHI: 1S/C10H17N4O3.BF4/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;2-1(3,4)5/h4-7H2,1-3H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.C[N+]1(CCOCC1)C2=NC(=NC(=N2)OC)OC
• WGK Germany: 3
• PubChem CID: 11631268
• Molecular Weight: 328.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass 1,3,5-triazines
        • Level5 Alkoxy-S-triazines
          • Level6 2-methoxy-1,3,5-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: 1,3,5-triazines
• Intermediate Tree Nodes: Alkoxy-S-triazines
• Direct Parent: 2-methoxy-1,3,5-triazines
• Alternative Parents: Aminotriazines Alkyl aryl ethers Morpholines Heteroaromatic compounds Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-methoxy-1,3,5-triazine - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Morpholine - Oxazinane - Heteroaromatic compound - Dialkyl ether - Ether - Oxacycle - Organic metalloid salt - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic salt - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-methoxy-1,3,5-triazines. These are aromatic heterocyclic compounds containing a 1,3,5-triazine ring, which is substituted at the 2-position with a methoxy 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

• Melt Point(°C): 202-207° C
• Molecular Weight: 328.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 328.133 Da
• Monoisotopic Mass: 328.133 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 255.000
• 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

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