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

CAS: 622-33-3 Cat. No.: O189173 Summenformel: C₇H₉NO Molekulargewicht: 123.15 EG-Nummer: 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

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Übersicht

ProduktAnwendung

O-Benzylhydroxylamin wird bei der Synthese von Alfa-Hydroxybenzylaminen aus Alfa-Hydroxyketonen verwendet. Es ist auch an der Herstellung von Hydroxylaminen und Hydroxyamaten beteiligt.

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504756518

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

C1=CC=C(C=C1)CON

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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

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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

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Plasmodium falciparum (966862 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in dimethylsulfoxide and methanol.
• Brechungsindex: 1.541
• Siedepunkt (°C): 118-119°/30mm Hg
• Molekulargewicht: 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