2-Butenamide,N-ethy...

2-Butenamide,N-ethyl-N-phenyl- 53188-82-2

2-Butenamide,N-ethyl-N-phenyl- 53188-82-2

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  • Purity: 99%
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2-Butenamide,N-ethyl-N-phenyl- 53188-82-2 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
2-Butenamide,N-ethyl-N-phenyl-
【Iupac name】
(E)-N-ethyl-N-phenylbut-2-enamide
【CAS Registry number】
53188-82-2
【Synonyms】
N-Ethylcrotonanilide
NSC 5684
【Molecular Formula】
C12H15NO (Products with the same molecular formula)
【Molecular Weight】
189.2536
【Inchi】
InChI=1/C12H15NO/c1-3-8-12(14)13(4-2)11-9-6-5-7-10-11/h3,5-10H,4H2,1-2H3/b8-3+
【Canonical SMILES】
CCN(C1=CC=CC=C1)C(=O)C=CC
【Isomers smiles】
CCN(C1=CC=CC=C1)C(=O)/C=C/C
【MOL File】
53188-82-2.mol
Chemical and Physical Properties
【Density】
1.027g/cm3
【Boiling Point】
265.4°Cat760mmHg
【Refractive Index】
1.555
【Flash Point】
108.1°C
【Computed Properties】
Molecular Weight:189.2536 [g/mol]
Molecular Formula:C12H15NO
XLogP3-AA:2.5
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:3
Exact Mass:189.115364
MonoIsotopic Mass:189.115364
Topological Polar Surface Area:20.3
Heavy Atom Count:14
Formal Charge:0
Complexity:204
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:24

 

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