N-Phenylacrylamide - Moligand™,≥98%(GC) , CAS No.2210-24-4

CAS: 2210-24-4 Cat. No.: N159041 Molecular Weight: 147.18 EC Number: 606-936-1

GRADE & PURITY Moligand™, ≥98%(GC)

Synonyms

Asylanilide | DS-6577 | HY-W018582 | SCHEMBL81209 | N-Phenylacrylateamide | N-Phenylacrylamide, 99% | Z440633536 | N1-Phenylacrylamide | N-PHENYL-2-PROPENAMIDE | NSC 6857 | SCHEMBL13341546 | n-acryloylaniline | UNII-A2AQJ9FV2G | AMY19693 | AQ-917/42754051

Storage

Protected from light,Room temperature,Desiccated,Cool

Shipped In

Normal

Overview

N-Phenylacrylamide is a special polymer showing high affinity with Ochratoxin A, a colorless and crystalline mycotoxin compound. N-Phenylacrylamide can be applied in the field of mycotoxin extraction, and be used for the security research of agricultural commodities and foods made from cereals and grapes.

Specifications

Synonyms

Asylanilide | DS-6577 | HY-W018582 | SCHEMBL81209 | N-Phenylacrylateamide | N-Phenylacrylamide, 99% | Z440633536 | N1-Phenylacrylamide | N-PHENYL-2-PROPENAMIDE | NSC 6857 | SCHEMBL13341546 | n-acryloylaniline | UNII-A2AQJ9FV2G | AMY19693 | AQ-917/42754051

Specifications & Purity

Moligand™, ≥98%(GC)

Storage

Protected from light, Room temperature, Desiccated, Cool

Shipped In

Normal

Grade

Moligand™

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488188693
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188693
• Canonical Smiles: C=CC(=O)NC1=CC=CC=C1
• IUPAC Name: N-phenylprop-2-enamide
• InChIKey: BPCNEKWROYSOLT-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO/c1-2-9(11)10-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)
• Isomeric SMILES: C=CC(=O)NC1=CC=CC=C1
• Molecular Weight: 147.18
• Reaxy-Rn: 2078220
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078220&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Acrylic acids and derivatives Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Acrylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

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

METAP1 Tchem Methionine aminopeptidase 1 (614 Activities)

Discover Target: METAP1

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

FBP1 Tchem Fructose-1,6-bisphosphatase (1199 Activities)

Discover Target: FBP1

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

TGM2 Tchem Protein-glutamine gamma-glutamyltransferase (1221 Activities)

Discover Target: TGM2

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

HeLa (62764 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Melt Point(°C): 105℃
• Molecular Weight: 147.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• 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

References

1. Saifei Fang, Xin Pu, Ali Usman, Jiawen Hu, Xin Han, Lei Ye, Yunlong Qin, Pengpeng Liu, Bo Luan, Jichang Liu.  (2024)  Performance improvement on the cold flow properties of crude oil with high asphaltene by adjusting the polarity of the third monomer in polymers.  JOURNAL OF APPLIED POLYMER SCIENCE,  141  (16): (e55254).  [PMID:] [10.1002/app.55254]