Methyl 3-Morpholinecarboxylate - ≥98% , CAS No.126264-49-1

CAS: 126264-49-1 Cat. No.: M586858 Molecular Weight: 145.16 EC Number: 802-934-1

GRADE & PURITY ≥98%

Synonyms

FT-0695092 | MFCD04038676 | DTXSID70391073 | Methyl 3-Morpholinecarboxylate | VVYXIRKYWOEDRA-UHFFFAOYSA-N | morpholine-3-carboxylic acid, methyl ester | SB11304 | SB11301 | methylmorpholine-3-carboxylate | AM20080199 | 3-Morpholinecarboxylic acid, methyl

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

FT-0695092 | MFCD04038676 | DTXSID70391073 | Methyl 3-Morpholinecarboxylate | VVYXIRKYWOEDRA-UHFFFAOYSA-N | morpholine-3-carboxylic acid, methyl ester | SB11304 | SB11301 | methylmorpholine-3-carboxylate | AM20080199 | 3-Morpholinecarboxylic acid, methyl

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762525
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762525
• Canonical Smiles: COC(=O)C1COCCN1
• IUPAC Name: methyl morpholine-3-carboxylate
• InChIKey: VVYXIRKYWOEDRA-UHFFFAOYSA-N
• INCHI: 1S/C6H11NO3/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3
• Isomeric SMILES: COC(=O)C1COCCN1
• Alternate CAS: 126264-49-1
• Molecular Weight: 145.16
• Reaxy-Rn: 1100913
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100913&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Morpholine carboxylic acids Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Morpholine-3-carboxylic acid - Morpholine-3-carboxylic acid or derivatives - Morpholine - Oxazinane - Methyl ester - Carboxylic acid ester - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Oxacycle - Secondary amine - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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: 145.160 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 145.074 Da
• Monoisotopic Mass: 145.074 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 10
• 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: 1

References

1. Ruizheng Xu, Guiyu Wei, Zhemin Xie, Sijie Diao, Jianfeng Wen, Tao Tang, Li Jiang, Ming Li, Guanghui Hu.  (2023)  V2C MXene–modified g-C3N4 for enhanced visible-light photocatalytic activity.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2023.172656]

2. Zidan Zhou, Xinwen Peng, Linxin Zhong, Lan Wu, Xuefei Cao, Run Cang Sun.  (2015)  Electrospun cellulose acetate supported Ag@AgCl composites with facet-dependent photocatalytic properties on degradation of organic dyes under visible-light irradiation.  CARBOHYDRATE POLYMERS,      [PMID:26572362] [10.1016/j.carbpol.2015.09.009]