Methyl morpholine-2-carboxylate hydrochloride - ≥97% , CAS No.937063-34-8

CAS: 937063-34-8 Cat. No.: M195938 Molecular Weight: 181.62 EC Number: 830-454-2

GRADE & PURITY ≥97%

Synonyms

MFCD21648490 | DYMNXWIUMADROW-UHFFFAOYSA-N | DTXSID60679079 | Methyl morpholine-2-carboxylate, HCl | A859663 | MFCD21606371 | SB44219 | EN300-68567 | AS-18617 | SB73896 | MethylMorpholine-2-carboxylateHydrochloride | SY023260 | Z1359429564 | Methyl morpho

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

MFCD21648490 | DYMNXWIUMADROW-UHFFFAOYSA-N | DTXSID60679079 | Methyl morpholine-2-carboxylate, HCl | A859663 | MFCD21606371 | SB44219 | EN300-68567 | AS-18617 | SB73896 | MethylMorpholine-2-carboxylateHydrochloride | SY023260 | Z1359429564 | Methyl morpho

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

• Pubchem Sid: 504770983
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770983
• Canonical Smiles: COC(=O)C1CNCCO1.Cl
• IUPAC Name: methyl morpholine-2-carboxylate;hydrochloride
• InChIKey: DYMNXWIUMADROW-UHFFFAOYSA-N
• INCHI: 1S/C6H11NO3.ClH/c1-9-6(8)5-4-7-2-3-10-5;/h5,7H,2-4H2,1H3;1H
• Isomeric SMILES: COC(=O)C1CNCCO1.Cl
• Molecular Weight: 181.62
• Reaxy-Rn: 22581114
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22581114&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines
        • Level5 Morpholine carboxylic acids and derivatives
          • Level6 Morpholine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Morpholine carboxylic acids and derivatives
• Direct Parent: Morpholine carboxylic acids
• Alternative Parents: Methyl esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine-2-carboxylic acid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Oxacycle - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid 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: 181.620 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 181.051 Da
• Monoisotopic Mass: 181.051 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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