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(E)-Cinnamamide

CAT: 0607-C6535-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0607-C6535-500Size:500 mg
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CAS Number
22031-64-7
Product Name Alternative
cinnamamide
Field of Research
Others
Purity
0.9935
Solubility
≥24.2 mg/mL in DMSO; ≥24.6 mg/mL in EtOH; insoluble in H2O
Smiles
O=C(N)/C=C/C1=CC=CC=C1
Molecular Formula
C9H9NO
Molecular Weight
147.17
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

trans-Cinnamamide

Cinnamamide is the simplest member of the class of cinnamamides that consists of acrylamide bearing a phenyl substituent at the 3-position.

CAS Number22031-64-7
PubChem CID5273472
IUPAC Name(E)-3-phenylprop-2-enamide
Molecular FormulaC9H9NO
Molecular Weight147.17
XLogP1.4
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity157
SMILES
C1=CC=C(C=C1)/C=C/C(=O)N
InChI
InChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
InChIKey
APEJMQOBVMLION-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of trans-Cinnamamide
CAS: 22031-64-7
CID: 5273472
Formula: C9H9NO
MW: 147.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.17
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass147.068413911
Monoisotopic Mass147.068413911
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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