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3-Acetylaminotoluene

CAT: 0572-TRC-A168335-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A168335-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
537-92-8
Hazard Statement
Harmful if swallowed.
Smiles
CC(=O)Nc1cccc(C)c1
Molecular Formula
C9 H11 N O
Molecular Weight
149.19
InChI
InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
Additionnal Information
IUPAC name: N-(3-methylphenyl)acetamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-(3-Methylphenyl)acetamide

N-acetyl-m-toluidine is a white solid. (NTP, 1992)

CAS Number537-92-8
PubChem CID10843
IUPAC NameN-(3-methylphenyl)acetamide
Molecular FormulaC9H11NO
Molecular Weight149.19
XLogP1.7
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
CC1=CC(=CC=C1)NC(=O)C
InChI
InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKey
ALMHSXDYCFOZQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Methylphenyl)acetamide
CAS: 537-92-8
CID: 10843
Formula: C9H11NO
MW: 149.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.19
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass149.084063974
Monoisotopic Mass149.084063974
Topological Polar Surface Area29.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
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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