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Methacetin

CAT: 0926-FM25132-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FM25132-02Size:25 g
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CAS Number
51-66-1
Synonyms
N- (4-Methoxyphenyl) acetamide; p-Acetanisidine; p-Methoxyacetanilide
MDL Number
MFCD00014963
Smiles
CC (=O) NC1=CC=C (C=C1) OC
Molecular Formula
C9H11NO2
Molecular Weight
165.19 g/mol
Controlled
No

Chemical Information

N-(4-Methoxyphenyl)Acetamide

Methacetin is a member of the class of acetamides that is paracetamol in which the hydrogen of phenolic hydroxy group has been replaced by a methyl group. It is a member of acetamides and an aromatic ether. It is functionally related to a paracetamol and a p-anisidine.

CAS Number51-66-1
PubChem CID5827
IUPAC NameN-(4-methoxyphenyl)acetamide
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP1.1
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CC(=O)NC1=CC=C(C=C1)OC
InChI
InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
InChIKey
XVAIDCNLVLTVFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Methoxyphenyl)Acetamide
CAS: 51-66-1
CID: 5827
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area38.3 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

Alternative Products

CatalogName
TRC-M258770-500MGMethacetin
sc-218702Methacetin-13C
HY-W028026S-01Methacetin-methoxy-13C
M3010-01Methacetin-13C (N- (4-Methoxyphenyl) -acetamide-13C, p-Acetanisidine-13C, p-Methoxyacetanilide-13C)
MBS6103180-01Methacetin-13C (N-(4-Methoxyphenyl)-acetamide-13C, p-Acetanisidine-13C, p-Methoxyacetanilide-13C)

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