N-Carbobenzoxyhydroxylamine - ≥97%(HPLC) , CAS No.3426-71-9

CAS: 3426-71-9 Cat. No.: N159551 Peso molecular: 167.16 Beilstein Registry Number: 1074030 Número EC: 679-666-5

GRADE & PURITY ≥97%(HPLC)

Synonyms

Benzyl hydroxycarbamate | BRN 1074034 | Benzyl N-hydroxycarbamate | 1-06-00-00221 (Beilstein Handbook Reference) | SCHEMBL1950181 | AB5I7L0KH1 | N-Carbobenzoxy hydroxylamine | MS-2251 | N-(Benzyloxycarbonyl)hydroxylamine, 99% | AKOS015915667 | PQBSPTAPCMS

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Benzyl hydroxycarbamate | BRN 1074034 | Benzyl N-hydroxycarbamate | 1-06-00-00221 (Beilstein Handbook Reference) | SCHEMBL1950181 | AB5I7L0KH1 | N-Carbobenzoxy hydroxylamine | MS-2251 | N-(Benzyloxycarbonyl)hydroxylamine, 99% | AKOS015915667 | PQBSPTAPCMS

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥97%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)NO
• IUPAC Name: benzyl N-hydroxycarbamate
• InChIKey: PQBSPTAPCMSZAA-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)NO
• WGK Alemania: 3
• RTECS: FB1600000
• Peso molecular: 167.16
• Beilstein: 1074030
• Reaxy-Rn: 1074034
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1074034&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: Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture & heat sensitive.
• Punto de fusión (°C): 70 °C
• Peso molecular: 167.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 143.000
• 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