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N-(2,4-Dimethylphenyl)acetamide

CAT: 0572-TRC-D464643-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D464643-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2050-43-3
Synonyms
2',4'-Acetoxylidide (6CI,7CI,8CI); N-(2,4-Dimethylphenyl)acetamide; 2,4-Dimethylacetanilide; 2',4'-Acetoxylidine; 2',4'-Dimethylacetanilide; MBR 22441; N-Acetyl 2,4-dimethylaniline; NSC 37567
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(=O)Nc1ccc(C)cc1C
Molecular Formula
C10 H13 N O
Molecular Weight
163.22
InChI
InChI=1S/C10H13NO/c1-7-4-5-10(8(2)6-7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
Additionnal Information
IUPAC name: N-(2,4-dimethylphenyl)acetamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-(2,4-Dimethylphenyl)acetamide
CAS Number2050-43-3
PubChem CID16303
IUPAC NameN-(2,4-dimethylphenyl)acetamide
Molecular FormulaC10H13NO
Molecular Weight163.22
XLogP1.5
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity167
SMILES
CC1=CC(=C(C=C1)NC(=O)C)C
InChI
InChI=1S/C10H13NO/c1-7-4-5-10(8(2)6-7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
InChIKey
PJEIIBXJUDOMAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,4-Dimethylphenyl)acetamide
CAS: 2050-43-3
CID: 16303
Formula: C10H13NO
MW: 163.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight163.22
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass163.099714038
Monoisotopic Mass163.099714038
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity167
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