N-[3-Acetyl-4-(2-oxiranylmethoxy)phenyl]butanamide
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![N-[3-Acetyl-4-(2-oxiranylmethoxy)phenyl]butanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/63970916d0e14ce296feebe405df782d.png "N-[3-Acetyl-4-(2-oxiranylmethoxy)phenyl]butanamide")
N-[3-Acetyl-4-(2-oxiranylmethoxy)phenyl]butanamide
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CAS No:
28197-66-2
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Formula:
C15H19NO4
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Chemical Name:
N-[3-Acetyl-4-(2-oxiranylmethoxy)phenyl]butanamide
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Synonyms:
Butanamide,N-[3-acetyl-4-(2-oxiranylmethoxy)phenyl]-;Butyranilide,3′-acetyl-4′-(2,3-epoxypropoxy)-;Butanamide,N-[3-acetyl-4-(oxiranylmethoxy)phenyl]-;N-[3-Acetyl-4-(2-oxiranylmethoxy)phenyl]butanamide
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CAS No:
Characteristics
67.9 Ų
1.198±0.06 g/cm3
126-128 °C @ Solvent: Toluene
496.5±35.0 °C(Predicted)
14.13±0.70
Safety Information
|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-[3-Acetyl-4-(2-oxiranylmethoxy)phenyl]butanamide Use and Manufacturing
Intermediate in the preparation of Acebutolol
Computed Properties
Molecular Weight:277.31
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:277.13140809
Monoisotopic Mass:277.13140809
Topological Polar Surface Area:67.9
Heavy Atom Count:20
Complexity:358
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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