N-Benzylformamide - ≥98%(GC) , CAS No.6343-54-0

CAS: 6343-54-0 Cat. No.: N159287 Peso molecular: 135.17 Beilstein Registry Number: 12(4)2228 Número EC: 228-739-6

GRADE & PURITY ≥98%(GC)

Synonyms

Calciumhypochlorite | SY049324 | DB02481 | EN300-748841 | MFCD00003281 | UNII-L363D92ELK | Benzyl formamide | 3-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol | A855417 | N-Benzylformamide | N-benzyl-formamide | NSC16247 | NSC-16247 | SCHEMBL27

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Calciumhypochlorite | SY049324 | DB02481 | EN300-748841 | MFCD00003281 | UNII-L363D92ELK | Benzyl formamide | 3-(5, 5, 6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol | A855417 | N-Benzylformamide | N-benzyl-formamide | NSC16247 | NSC-16247 | SCHEMBL27

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488185895
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185895
• Sonrisas canónicas: C1=CC=C(C=C1)CNC=O
• IUPAC Name: N-benzylformamide
• InChIKey: IIBOGKHTXBPGEI-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
• Isómeros SMILES: C1=CC=C(C=C1)CNC=O
• Peso molecular: 135.17
• Beilstein: 12(4)2228
• Reaxy-Rn: 2205749
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205749&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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: a small molecule

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

Objetivos asociados (humanos)

ADH1B Tclin Alcohol dehydrogenase 1B (1 Activities)

Discover Target: ADH1B

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

EPHX1 Tchem Epoxide hydrolase 1 (644 Activities)

Discover Target: EPHX1

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

ADH1A Tclin Alcohol dehydrogenase alpha chain (33 Activities)

Discover Target: ADH1A

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

ADH7 Tchem Alcohol dehydrogenase class IV (23 Activities)

Discover Target: ADH7

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

ADH1B Tclin Alcohol dehydrogenase beta chain (24 Activities)

Discover Target: ADH1B

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

ADH1C Tclin Alcohol dehydrogenase gamma chain (23 Activities)

Discover Target: ADH1C

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

ADH4 Tbio Alcohol dehydrogenase class II (23 Activities)

Discover Target: ADH4

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

ADH1A Tclin Alcohol dehydrogenase (35 Activities)

Discover Target: ADH1A

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 62 °C
• Peso molecular: 135.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.068 Da
• Monoisotopic Mass: 135.068 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 97.400
• 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