N-Cbz-2-morpholinecarboxylic Acid - ≥95% , CAS No.135782-21-7

CAS: 135782-21-7 Cat. No.: N587070 Peso molecular: 265.26

GRADE & PURITY ≥95%

Synonyms

4-(Phenylmethyl) 2,4-morpholinedicarboxylate | FT-0739604 | AB87023 | AVQCLRKABAZVMZ-UHFFFAOYSA-N | N-Cbz-2-morpholinecarboxylicAcid | N-Cbz-2-morpholinecarboxylic Acid | SCHEMBL4141608 | SY014803 | A886939 | P17747 | AMY21734 | AS-54317 | MFCD16223609 |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

4-(Phenylmethyl) 2, 4-morpholinedicarboxylate | FT-0739604 | AB87023 | AVQCLRKABAZVMZ-UHFFFAOYSA-N | N-Cbz-2-morpholinecarboxylicAcid | N-Cbz-2-morpholinecarboxylic Acid | SCHEMBL4141608 | SY014803 | A886939 | P17747 | AMY21734 | AS-54317 | MFCD16223609 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1COC(CN1C(=O)OCC2=CC=CC=C2)C(=O)O
• IUPAC Name: 4-phenylmethoxycarbonylmorpholine-2-carboxylic acid
• InChIKey: AVQCLRKABAZVMZ-UHFFFAOYSA-N
• INCHI: 1S/C13H15NO5/c15-12(16)11-8-14(6-7-18-11)13(17)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
• Isómeros SMILES: C1COC(CN1C(=O)OCC2=CC=CC=C2)C(=O)O
• CAS alternativo: 135782-21-7
• Peso molecular: 265.26
• Reaxy-Rn: 14265136
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14265136&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Morpholine carboxylic acids Carbamate esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen 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 - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 265.260 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 265.095 Da
• Monoisotopic Mass: 265.095 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 327.000
• 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