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

CAS: 121269-45-2 Cat. No.: P627445 Formule: C₁₀H₁₁NO₂ Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

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

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528753241

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528753241

Sourires canoniques

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

Isomères SMILES

C1[C@H](NCC(=O)O1)C2=CC=CC=C2

CAS alternatif

121269-45-2

Poids moléculaire

177.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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