Morpholin-4-yl-acetic acid - ≥98% , CAS No.3235-69-6

CAS: 3235-69-6 Cat. No.: M192727 Molecular Weight: 145.16 EC Number: 695-164-9

GRADE & PURITY ≥98%

Synonyms

2-morpholinoacetic acid | NCGC00342195-01 | BCP12317 | FT-0603884 | A18632 | STK397092 | AC-2877 | EN300-58061 | N-(Carboxymethyl)morpholine | SY003213 | 4-Morpholineacetic Acid | EN300-133582 | BB 0219034 | 2-morpholin-4-ylacetic acid | N-(2-Carboxymethy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Application：

Morpholin-​4-​yl Acetic Acid was used in preparation of pyrrolidine-fused fullerene multicarboxylates by photoreaction.

Specifications

Synonyms

2-morpholinoacetic acid | NCGC00342195-01 | BCP12317 | FT-0603884 | A18632 | STK397092 | AC-2877 | EN300-58061 | N-(Carboxymethyl)morpholine | SY003213 | 4-Morpholineacetic Acid | EN300-133582 | BB 0219034 | 2-morpholin-4-ylacetic acid | N-(2-Carboxymethy

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488189733
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189733
• Canonical Smiles: C1COCCN1CC(=O)O
• IUPAC Name: 2-morpholin-4-ylacetic acid
• InChIKey: VIWZVFVJPXTXPA-UHFFFAOYSA-N
• INCHI: 1S/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)
• Isomeric SMILES: C1COCCN1CC(=O)O
• Molecular Weight: 145.16
• Reaxy-Rn: 119863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119863&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 acids

• 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 acids
• Alternative Parents: Morpholines Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid - Morpholine - Oxazinane - Tertiary amine - Amino acid - Tertiary aliphatic amine - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

• Solubility: DMSO (Slightly), Methanol (Slightly)
• Melt Point(°C): 160-163°C
• Molecular Weight: 145.160 g/mol
• XLogP3: -2.800
• 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: 49.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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

References

1. Fengyin Liu, Zijian Chen, Yudong Shen, Yuanming Sun, Jinyi Yang, Hong Wang, Hongtao Lei, Zhenlin Xu.  (2018)  Hapten synthesis and production of specific antibody against 3-amino-5-morpholinomethyl-2-oxazolidone for immunoassay without derivatisation.  FOOD AND AGRICULTURAL IMMUNOLOGY,      [PMID:] [10.1080/09540105.2017.1376038]