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4-Propionamidophenol (Acetaminophen Impurity B)

CAT: 0572-TRC-P783500-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P783500-100MGSize:100 mg
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CAS Number
1693-37-4
Synonyms
Paracetamol Imp. B (EP); Acetaminophen USP Related Compound B; Acetaminophen USP RC B; N-(4-Hydroxyphenyl)-propanamide; N-Propionyl-4-aminophenol; Acetaminophen Related Compound B; Paracetamol Impurity B
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCC(=O)Nc1ccc(O)cc1
Molecular Formula
C9 H11 N O2
Molecular Weight
165.19
InChI
InChI=1S/C9H11NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)
Additionnal Information
IUPAC name: N-(4-hydroxyphenyl)propanamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-(4-Hydroxyphenyl)propanamide

Parapropamol is a small molecule drug. Parapropamol has a monoisotopic molecular weight of 165.08 Da.

CAS Number1693-37-4
PubChem CID74325
IUPAC NameN-(4-hydroxyphenyl)propanamide
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP1.3
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CCC(=O)NC1=CC=C(C=C1)O
InChI
InChI=1S/C9H11NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)
InChIKey
SSMYTAQHMUHRSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Hydroxyphenyl)propanamide
CAS: 1693-37-4
CID: 74325
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area49.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
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