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N-Benzylformamide - >98.0%(GC), high purity , CAS No.6343-54-0

    Grade & Purity:
  • ≥98%(GC)
In stock
Item Number
N159287
Grouped product items
SKU Size
Availability
Price Qty
N159287-1g
1g
3
$10.90
N159287-5g
5g
3
$38.90
N159287-25g
25g
2
$104.90
N159287-100g
100g
2
$376.90

Basic Description

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
Specifications & Purity ≥98%(GC)
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class 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
Description 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

Associated Targets(Human)

ADH1B Tclin Alcohol dehydrogenase 1B (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EPHX1 Tchem Epoxide hydrolase 1 (644 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADH1A Tclin Alcohol dehydrogenase alpha chain (33 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADH7 Tchem Alcohol dehydrogenase class IV (23 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADH1B Tclin Alcohol dehydrogenase beta chain (24 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADH1C Tclin Alcohol dehydrogenase gamma chain (23 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADH4 Tbio Alcohol dehydrogenase class II (23 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADH1A Tclin Alcohol dehydrogenase (35 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 488185895
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488185895
IUPAC Name N-benzylformamide
INCHI InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
InChIKey IIBOGKHTXBPGEI-UHFFFAOYSA-N
Smiles C1=CC=C(C=C1)CNC=O
Isomeric SMILES C1=CC=C(C=C1)CNC=O
Molecular Weight 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=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number Certificate Type Date Item
L2416618 Certificate of Analysis Dec 25, 2024 N159287
E2014095 Certificate of Analysis Mar 14, 2024 N159287

Chemical and Physical Properties

Solubility Soluble in Methanol
Melt Point(°C) 62 °C
Molecular Weight 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

Solution Calculators

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