α-Benzaldoxime - ≥90%(GC) , CAS No.622-31-1

CAS: 622-31-1 Cat. No.: T135657 Summenformel: C₇H₇NO Molekulargewicht: 121.14 Beilstein Registry Number: 7218 EG-Nummer: 629-590-3 PubChem CID: 5324611

GRADE & PURITY ≥90%(GC)

Synonyms

BENZALDEHYDE, OXIME, (C(E))- | (E)-Benzaldoxime | NSC 68362 | (E)-N-benzylidene-hydroxylamine | SCHEMBL220641 | n-(phenylmethylidene)hydroxylamine | (NE)-N-benzylidenehydroxylamine | UNII-TBP7JJ5HTH | (E)-Benzaldehyde oxime | OMS-1394 | benzaldoxime,predo

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

BENZALDEHYDE, OXIME, (C(E))- | (E)-Benzaldoxime | NSC 68362 | (E)-N-benzylidene-hydroxylamine | SCHEMBL220641 | n-(phenylmethylidene)hydroxylamine | (NE)-N-benzylidenehydroxylamine | UNII-TBP7JJ5HTH | (E)-Benzaldehyde oxime | OMS-1394 | benzaldoxime,predo

Spezifikationen & Reinheit

≥90%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥90%(GC)

Namen und Kennungen

Pubchem Sid

504763610

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763610

Kanonisches Lächeln

C1=CC=C(C=C1)C=NO

IUPAC Name

(NE)-N-benzylidenehydroxylamine

InChIKey

VTWKXBJHBHYJBI-SOFGYWHQSA-N

INCHI

1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+

Isomere SMILES

C1=CC=C(C=C1)/C=N/O

WGK Deutschland

3

PubChem CID

5324611

Molekulargewicht

121.14

Beilstein

7218

Reaxy-Rn

1209596

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: Aldoximes Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aldoxime - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen 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

Zugehörige Ziele (menschlich)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 228.2 °F
• Flammpunkt (°C): 109 °C
• Molekulargewicht: 121.140 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.053 Da
• Monoisotopic Mass: 121.053 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 95.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1