2-[2-(Cbz-amino)phenyl]-1，3-dioxolane - ≥97% , CAS No.1346597-58-7

CAS: 1346597-58-7 Cat. No.: D735075 Peso molecular: 299.32 PubChem CID: 73553963

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Propiedades del producto

• ALogP: 2.4

Nombres e identificadores

• Sonrisas canónicas: C1COC(O1)C2=CC=CC=C2NC(=O)OCC3=CC=CC=C3
• IUPAC Name: benzyl N-[2-(1,3-dioxolan-2-yl)phenyl]carbamate
• InChIKey: IVRCAMLNDOLSKF-UHFFFAOYSA-N
• INCHI: 1S/C17H17NO4/c19-17(22-12-13-6-2-1-3-7-13)18-15-9-5-4-8-14(15)16-20-10-11-21-16/h1-9,16H,10-12H2,(H,18,19)
• Isómeros SMILES: C1COC(O1)C2=CC=CC=C2NC(=O)OCC3=CC=CC=C3
• PubChem CID: 73553963
• Peso molecular: 299.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylcarbamic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylcarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylcarbamic acid esters
• Alternative Parents: Benzyloxycarbonyls Carbamate esters 1,3-dioxolanes Oxacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylcarbamic acid ester - Benzyloxycarbonyl - Meta-dioxolane - Carbamic acid ester - Acetal - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic 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

Propiedades químicas y físicas

• Peso molecular: 299.320 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 299.116 Da
• Monoisotopic Mass: 299.116 Da
• Topological Polar Surface Area: 56.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 351.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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