(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hydrochloride - ≥97% , CAS No.898543-06-1

CAS: 898543-06-1 Cat. No.: S195687 Molecular Weight: 327.76 EC Number: 618-311-0 PubChem CID: 16037077

GRADE & PURITY ≥97%

Synonyms

4-{4-[(5S)-5-aminomethyl-2-oxo-1,3-oxazolidine-3-yl]-phenyl}-morpholine-3-one hydrochloride | AKOS016001386 | (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one HCl | SCHEMBL792570 | (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

4-{4-[(5S)-5-aminomethyl-2-oxo-1, 3-oxazolidine-3-yl]-phenyl}-morpholine-3-one hydrochloride | AKOS016001386 | (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one HCl | SCHEMBL792570 | (S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

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: 488199020
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199020
• Canonical Smiles: C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN.Cl
• IUPAC Name: 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;hydrochloride
• InChIKey: ITMQDYQHNKXERQ-YDALLXLXSA-N
• INCHI: 1S/C14H17N3O4.ClH/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18;/h1-4,12H,5-9,15H2;1H/t12-;/m0./s1
• Isomeric SMILES: C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN.Cl
• Alternate CAS: 898543-06-1
• PubChem CID: 16037077
• Molecular Weight: 327.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Oxazolidinones Benzene and substituted derivatives Tertiary carboxylic acid amides Carbamate esters Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Oxazolidine - Tertiary carboxylic acid amide - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Primary amine - Carbonyl group - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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

• Sensitivity: light sensitive
• Molecular Weight: 327.760 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 327.099 Da
• Monoisotopic Mass: 327.099 Da
• Topological Polar Surface Area: 85.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 409.000
• 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: 2

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