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

CAS: 6343-54-0 Cat. No.: N159287 Formula: C₈H₉NO Peso molecolare: 135.17 Beilstein Registry Number: 12(4)2228 Numero 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

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488185895

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185895

Sorrisi canonici

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)

Isomeri SMILES

C1=CC=C(C=C1)CNC=O

Peso molecolare

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
    • 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: 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
• Descrizione: 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

Obiettivi associati (umani)

ADH1B Tclin Alcohol dehydrogenase 1B (1 Activities)

Discover Target: ADH1B

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EPHX1 Tchem Epoxide hydrolase 1 (644 Activities)

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ADH1A Tclin Alcohol dehydrogenase alpha chain (33 Activities)

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ADH7 Tchem Alcohol dehydrogenase class IV (23 Activities)

Discover Target: ADH7

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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

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ADH1A Tclin Alcohol dehydrogenase (35 Activities)

Discover Target: ADH1A

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Obiettivi associati (non umani)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 62 °C
• Peso molecolare: 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