(2R)-2-(trifluoromethyl)morpholine hydrochloride - ≥97% , CAS No.1394909-70-6

CAS: 1394909-70-6 Cat. No.: M628890 EC Number: 829-801-0 PubChem CID: 68285224

GRADE & PURITY ≥97%

Synonyms

SCHEMBL12482599 | (2R)-2-(trifluoromethyl)morpholine;hydrochloride | AKOS027469858 | 1394909-70-6 | P18766 | (R)-2-(Trifluoromethyl)morpholine hydrochloride | BS-43217 | MFCD24621418 | EN300-261620 | (2R)-2-(trifluoromethyl)morpholinehydrochloride | (2R)-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL12482599 | (2R)-2-(trifluoromethyl)morpholine;hydrochloride | AKOS027469858 | 1394909-70-6 | P18766 | (R)-2-(Trifluoromethyl)morpholine hydrochloride | BS-43217 | MFCD24621418 | EN300-261620 | (2R)-2-(trifluoromethyl)morpholinehydrochloride | (2R)-

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1COC(CN1)C(F)(F)F.Cl
• IUPAC Name: (2R)-2-(trifluoromethyl)morpholine;hydrochloride
• InChIKey: INIKTCFEWCCJMM-PGMHMLKASA-N
• INCHI: 1S/C5H8F3NO.ClH/c6-5(7,8)4-3-9-1-2-10-4;/h4,9H,1-3H2;1H/t4-;/m1./s1
• Isomeric SMILES: C1CO[C@H](CN1)C(F)(F)F.Cl
• Alternate CAS: 1394909-70-6
• PubChem CID: 68285224

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Oxacycle - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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: 191.580 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 191.032 Da
• Monoisotopic Mass: 191.032 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 114.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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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