2-(Acetylamino)-3-phenyl-2-propenoic acid
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2-(Acetylamino)-3-phenyl-2-propenoic acid
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CAS No:
5469-45-4
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Formula:
C11H11NO3
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Chemical Name:
2-(Acetylamino)-3-phenyl-2-propenoic acid
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Synonyms:
2-Propenoic acid,2-(acetylamino)-3-phenyl-;Cinnamic acid,α-acetamido-;2-(Acetylamino)-3-phenyl-2-propenoic acid;2-Acetamidocinnamic acid;α-Acetylaminocinnamic acid;α-Acetamidocinnamic acid;N-Acetyldehydrophenylalanine;2-Acetylamino-3-phenylacrylic acid;NSC 25333;2-Acetylamino-3-phenylprop-2-enoic acid;2-Acetamido-3-phenylprop-2-enoic acid
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CAS No:
Characteristics
66.40000
1.88
Orange-yellow solid.
1.32 g/cm3
193-194 °C
455.4±45.0 °C at 760 mmHg
229.2±28.7 °C
1.605
methanol: soluble 100mg/mL, clear, yellow-green
2-8°C
Safety Information
NONH for all modes of transport
3
36/38
26-36
Xi
Irritant
Stable under normal temperatures and pressures.
P305 + P351 + P338
H315-H319
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-(Acetylamino)-3-phenyl-2-propenoic acid Use and Manufacturing
By hydrolysis of 2-methyl-4-benzylidene-5-oxazolinone.
test substance for asymmetric hydrogenations
Computed Properties
Molecular Weight:205.21
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:205.07389321
Monoisotopic Mass:205.07389321
Topological Polar Surface Area:66.4
Heavy Atom Count:15
Complexity:278
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(Acetylamino)-3-phenyl-2-propenoic acid
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