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2-Acetyl-4-butyramidophenol

CAT: 1410-M14375-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M14375-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Gray crystalline powder.
CAS Number
40188-45-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
221.25
Molecular Formula
C12H15NO3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

2-Acetyl-4-butyramidophenol
CAS Number40188-45-2
PubChem CID736331
IUPAC NameN-(3-acetyl-4-hydroxyphenyl)butanamide
Molecular FormulaC12H15NO3
Molecular Weight221.25
XLogP2.2
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity265
SMILES
CCCC(=O)NC1=CC(=C(C=C1)O)C(=O)C
InChI
InChI=1S/C12H15NO3/c1-3-4-12(16)13-9-5-6-11(15)10(7-9)8(2)14/h5-7,15H,3-4H2,1-2H3,(H,13,16)
InChIKey
FGWZEOPEZISTTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetyl-4-butyramidophenol
CAS: 40188-45-2
CID: 736331
Formula: C12H15NO3
MW: 221.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.25
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass221.10519334
Monoisotopic Mass221.10519334
Topological Polar Surface Area66.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity265
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

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