(5R)-5-phenylmorpholin-2-one - ≥97% , CAS No.121269-45-2

CAS: 121269-45-2 Cat. No.: P627445 Molecular Weight: 177.20

GRADE & PURITY ≥97%

Synonyms

EN300-4274923 | (R)-5-Phenyl-morpholin-2-one | (R)-5-phenylmorpholin-2-one | AKOS015855488 | SCHEMBL739240 | (5S)-3,4,5,6-Tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one | (5R)-3,4,5,6-tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one | MFCD00269692 | PS-16453 | (5R)-5

Storage

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

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

EN300-4274923 | (R)-5-Phenyl-morpholin-2-one | (R)-5-phenylmorpholin-2-one | AKOS015855488 | SCHEMBL739240 | (5S)-3, 4, 5, 6-Tetrahydro-5-phenyl-4(H)-1, 4-oxazin-2-one | (5R)-3, 4, 5, 6-tetrahydro-5-phenyl-4(H)-1, 4-oxazin-2-one | MFCD00269692 | PS-16453 | (5R)-5

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: C1C(NCC(=O)O1)C2=CC=CC=C2
• IUPAC Name: (5R)-5-phenylmorpholin-2-one
• InChIKey: CMYHFJFAHHKICH-VIFPVBQESA-N
• INCHI: 1S/C10H11NO2/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1
• Isomeric SMILES: C1[C@H](NCC(=O)O1)C2=CC=CC=C2
• Alternate CAS: 121269-45-2
• Molecular Weight: 177.20

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: Phenylmorpholines Aralkylamines Benzene and substituted derivatives Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Phenylmorpholine - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Carboxylic acid ester - Lactone - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aromatic 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: 177.200 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.079 Da
• Monoisotopic Mass: 177.079 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 187.000
• 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: 1