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Phenacetin

CAT: 0931-T0778-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T0778-03Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62-44-2
Target
COX
Related Pathways
Immunology/Inflammation, Neuroscience
Purity
>99.99%
Bioactivity
Phenacetin (Acetophenetidin) is a phenylacetamide that was formerly used in ANALGESICS but nephropathy and METHEMOGLOBINEMIA led to its withdrawal from the market.
Smiles
N(C(C)=O)C1=CC=C(OCC)C=C1
Molecular Formula
C10H13NO2
Molecular Weight
179.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phenacetin

Phenacetin can cause cancer according to California Labor Code.

CAS Number62-44-2
PubChem CID4754
IUPAC NameN-(4-ethoxyphenyl)acetamide
Molecular FormulaC10H13NO2
Molecular Weight179.22
XLogP1.6
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity162
SMILES
CCOC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey
CPJSUEIXXCENMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenacetin
CAS: 62-44-2
CID: 4754
Formula: C10H13NO2
MW: 179.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.22
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass179.094628657
Monoisotopic Mass179.094628657
Topological Polar Surface Area38.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
561575Phenacetin

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