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N-Methylacetanilide
CAS: 579-10-2 | C9H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
579-10-2
Molecular Formula:
C9H11NO
Molecular Weight:
149.19299999999998 g/mol
Names and Synonyms:
N-Methylacetanilide
NSC 2140
Methylazol
Methylantifebrin
Phenylmethylacetamide
Oxalgin
N-Methylacetanilide
Exalgin
N-Acetyl-N-methylaniline
Acetomethylanilide
N-Methyl-N-phenylacetamide
Acetanilide, N-methyl-
Acetamide, N-methyl-N-phenyl-
Identifiers:
SMILES:
CC(=O)N(C)c1ccccc1
InChI:
InChI=1S/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 149.19299999999998 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 149.084063972 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 11 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 1 count | RDKit |
Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 1 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | 1.6693 | RDKit |
molecular_mass | 149.19 g/mol | Legacy Database |
cas-boiling-point | 256 °C None | Legacy Database |
cas-canonical-smile | O=C(N(C=1C=CC=CC1)C)C None | Legacy Database |
cas-inchi | InChI=1S/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3 None | Legacy Database |
cas-inchi-key | InChIKey=LMTGCJANOQOGPI-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 103 °C None | Legacy Database |
cas-name | N-Methylacetanilide None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 45.52600000000003 | RDKit |