O-Acetyl-N-carbobenzoxyhydroxylamine - ≥98%(T) , CAS No.180798-01-0

CAS: 180798-01-0 Cat. No.: O159951 Peso molecular: 209.2

GRADE & PURITY ≥98%(T)

Synonyms

Carbamic acid, N-(acetyloxy)-, phenylmethyl ester | AKOS027439352 | YEIRDDKOGLZHLP-UHFFFAOYSA-N | N-Acetoxycarbamic Acid Benzyl Ester | MFCD11975425 | Benzylacetoxycarbamate | Phenylmethoxycarbonylamino Acetate | O-Acetyl-N-cbz-hydroxylamine | [(Benzyloxy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Carbamic acid, N-(acetyloxy)-, phenylmethyl ester | AKOS027439352 | YEIRDDKOGLZHLP-UHFFFAOYSA-N | N-Acetoxycarbamic Acid Benzyl Ester | MFCD11975425 | Benzylacetoxycarbamate | Phenylmethoxycarbonylamino Acetate | O-Acetyl-N-cbz-hydroxylamine | [(Benzyloxy

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: CC(=O)ONC(=O)OCC1=CC=CC=C1
• IUPAC Name: phenylmethoxycarbonylamino acetate
• InChIKey: YEIRDDKOGLZHLP-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO4/c1-8(12)15-11-10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
• Isómeros SMILES: CC(=O)ONC(=O)OCC1=CC=CC=C1
• Peso molecular: 209.2
• Reaxy-Rn: 7707730
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7707730&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: Acetate salts Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Acetate salt - Carboxylic acid salt - Carbonic acid derivative - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic 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

• Sensibilidad: Air Sensitive,Heat Sensitive
• Peso molecular: 209.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 209.069 Da
• Monoisotopic Mass: 209.069 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 223.000
• 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