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N-Methylformanilide
CAS: 93-61-8 | C8H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
93-61-8
Molecular Formula:
C8H9NO
Molecular Weight:
135.16599999999997 g/mol
Names and Synonyms:
N-Methylformanilide
Formamide, N-methyl-N-phenyl-
Formanilide, N-methyl-
N-Methyl-N-phenylformamide
N-Methylformanilide
N-Methyl-N-formylaniline
N-Formyl-N-methylaniline
N-Phenyl-N-methylformamide
Methylphenylformamide
NSC 3828
Identifiers:
SMILES:
CN(C=O)c1ccccc1
InChI:
InChI=1S/C8H9NO/c1-9(7-10)8-5-3-2-4-6-8/h2-7H,1H3
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 |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 | 135.16599999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 135.068413908 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 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 | 1.2792 | RDKit |
| molecular_mass | 135.17 g/mol | Legacy Database |
| cas-boiling-point | 243 °C None | Legacy Database |
| cas-canonical-smile | O=CN(C=1C=CC=CC1)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H9NO/c1-9(7-10)8-5-3-2-4-6-8/h2-7H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JIKUXBYRTXDNIY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 14.5 °C None | Legacy Database |
| cas-name | N-Methylformanilide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.90900000000003 | RDKit |
