O-Benzylhydroxylamine - ≥97% , CAS No.622-33-3

CAS: 622-33-3 Cat. No.: O189173 Fórmula: C₇H₉NO Peso molecular: 123.15 Número CE: 612-969-2

GRADE & PURITY ≥97%

Synonyms

Mastiphen | O-benzyloxylamine | AKOS000311516 | STK400321 | Hydroxylamine, O-benzyl- | O-benzyl hydroxyamine | 3-BROMOBENZOIC ACID-TERT-BUTYL ESTER | BB 0257240 | SCHEMBL7948 | NH2OCH2Ph | Benzyl-O-Hydroxylamine | Q27464086 | O-Benzylhydroxylamine | O-ben

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Product Application

O-benzylhydroxylamine used in the synthesis of alfa- hydroxybenzylamines from alfa-hydroxyketones. It is also involved in the preparation of hydroxylamines and hydroxyamates.

Specifications

Sinónimos

Mastiphen | O-benzyloxylamine | AKOS000311516 | STK400321 | Hydroxylamine, O-benzyl- | O-benzyl hydroxyamine | 3-BROMOBENZOIC ACID-TERT-BUTYL ESTER | BB 0257240 | SCHEMBL7948 | NH2OCH2Ph | Benzyl-O-Hydroxylamine | Q27464086 | O-Benzylhydroxylamine | O-ben

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504756518

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756518

Sorrisos canónicos

C1=CC=C(C=C1)CON

IUPAC Name

O-benzylhydroxylamine

InChIKey

XYEOALKITRFCJJ-UHFFFAOYSA-N

INCHI

1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2

SMILES isoméricas

C1=CC=C(C=C1)CON

Peso molecular

123.15

Reaxy-Rn

1906691

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906691&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organooxygen compounds Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Alvos associados (humanos)

IDO1 Tchem Indoleamine 2,3-dioxygenase 1 (1 Activities)

Discover Target: IDO1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in dimethylsulfoxide and methanol.
• Índice de refração: 1.541
• Ponto de ebulição (°C): 118-119°/30mm Hg
• Peso molecular: 123.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 69.300
• 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