Cinnamamide, Predominantly trans - ≥97%(predominantly trans) , CAS No.621-79-4

CAS: 621-79-4 Cat. No.: C101731 Molecular Weight: 147.17 EC Number: 210-707-8

GRADE & PURITY ≥97%(predominantly trans)

Synonyms

(2E)-3-phenylprop-2-enamide | MITOMYCIN IMPURITY A [EP IMPURITY] | (E)-3-phenylprop-2-enamide;Cinnamamide (Predominantly trans) | Cinnamamide, predominantly trans | U-2422 | AS-0058 | CINNAMAMIDE | 3-Phenyl-2-propenamide | AI3-03764 | CINNANAMIDE | trans-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(2E)-3-phenylprop-2-enamide | MITOMYCIN IMPURITY A [EP IMPURITY] | (E)-3-phenylprop-2-enamide;Cinnamamide (Predominantly trans) | Cinnamamide, predominantly trans | U-2422 | AS-0058 | CINNAMAMIDE | 3-Phenyl-2-propenamide | AI3-03764 | CINNANAMIDE | trans-

Specifications & Purity

≥97%(predominantly trans)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(predominantly trans)

Names and Identifiers

• Pubchem Sid: 488195195
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195195
• Canonical Smiles: C1=CC=C(C=C1)C=CC(=O)N
• IUPAC Name: (E)-3-phenylprop-2-enamide
• InChIKey: APEJMQOBVMLION-VOTSOKGWSA-N
• INCHI: 1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C(=O)N
• WGK Germany: 3
• RTECS: GD6853000
• Alternate CAS: 22031-64-7
• Molecular Weight: 147.17
• Reaxy-Rn: 8198107
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8198107&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Cinnamic acids and derivatives
      • Subclass Cinnamic acid amides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Cinnamic acids and derivatives
• Subclass: Cinnamic acid amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid amides
• Alternative Parents: Styrenes Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid amide - Styrene - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• External Descriptors: cinnamamide

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

Chemical and Physical Properties

• Melt Point(°C): 148-150°C
• Molecular Weight: 147.170 g/mol
• XLogP3: 1.400
• 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: 43.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 157.000
• 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

References

1. Li YunJing, Wang Lei, Wang Rui, Hao Longyun.  (2023)  Hydrophobically Modified Alginate for Enhancing the Dispersibility of SDS to CuPc Pigment Colorant in Water.  FIBERS AND POLYMERS,  24  (5): (1707-1715).  [PMID:] [10.1007/s12221-023-00164-1]

2. Yibo Yan, Ruilin Yang, Yanan Wang, Yinan Wu, Xiaofei Gu, Xiaoqiang Qiao.  (2024)  Esterified styrene-maleic acid copolymer modified silica as mixed-mode polymer-brush stationary phases for chromatographic separation.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39116685] [10.1016/j.chroma.2024.465227]