Ethyl n-cbz-morpholine-2-carboxylate - ≥95% , CAS No.1226776-83-5

CAS: 1226776-83-5 Cat. No.: E180432 Molecular Weight: 293.3 PubChem CID: 56763848

GRADE & PURITY ≥95%

Synonyms

FT-0712113 | DS-1172 | A891080 | Ethyl N-Cbz-morpholine-2-carboxylate | MFCD16495879 | 4-O-benzyl 2-O-ethyl morpholine-2,4-dicarboxylate | AKOS015836775 | DTXSID30718282 | 1226776-83-5 | SY008026 | 4-benzyl 2-ethyl morpholine-2,4-dicarboxylate | 2,4-Morph

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0712113 | DS-1172 | A891080 | Ethyl N-Cbz-morpholine-2-carboxylate | MFCD16495879 | 4-O-benzyl 2-O-ethyl morpholine-2, 4-dicarboxylate | AKOS015836775 | DTXSID30718282 | 1226776-83-5 | SY008026 | 4-benzyl 2-ethyl morpholine-2, 4-dicarboxylate | 2, 4-Morph

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1CN(CCO1)C(=O)OCC2=CC=CC=C2
• IUPAC Name: 4-O-benzyl 2-O-ethyl morpholine-2,4-dicarboxylate
• InChIKey: QEIFMBIQRFZCCC-UHFFFAOYSA-N
• INCHI: 1S/C15H19NO5/c1-2-19-14(17)13-10-16(8-9-20-13)15(18)21-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
• Isomeric SMILES: CCOC(=O)C1CN(CCO1)C(=O)OCC2=CC=CC=C2
• PubChem CID: 56763848
• Molecular Weight: 293.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Morpholine carboxylic acids Carbamate esters Tertiary amines Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyloxycarbonyl - Morpholine-4-carboxylic acid - Morpholine-2-carboxylic acid - Morpholine-4-carboxylic acid or derivatives - Morpholine-2-carboxylic acid or derivatives - Morpholine - Oxazinane - Carbamic acid ester - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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: 293.310 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 293.126 Da
• Monoisotopic Mass: 293.126 Da
• Topological Polar Surface Area: 65.099 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 354.000
• 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