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N-(4-Methylphenyl)Formamide
CAS: 3085-54-9 | C8H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3085-54-9
Molecular Formula:
C8H9NO
Molecular Mass:
135.17 g/mol
Names and Synonyms:
N-(4-Methylphenyl)Formamide
Formamide, N-(4-methylphenyl)-
p-Formotoluidide
N-(4-Methylphenyl)formamide
N-(p-Methylphenyl)formamide
4′-Methylformanilide
p-Methylformanilide
N-Formyl-p-toluidine
N-p-Tolylformamide
NSC 68098
N-Formyl-4-methylaniline
Identifiers:
SMILES:
Cc1ccc(N=CO)cc1
InChI:
InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)9-6-10/h2-6H,1H3,(H,9,10)
Key Properties
Melting Point
57 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.17 g/mol | CAS Common Chemistry |
| 135.166 g/mol | RDKit | |
| 135.068413908 g/mol | RDKit | |
| Canonical SMILES | O=CNC1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO/c1-7-2-4-8(5-3-7)9-6-10/h2-6H,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=GRVKDWHXLFEVBP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57 °C | CAS Common Chemistry |
| Name | N-(4-Methylphenyl)formamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.21282 | RDKit |
| Molar Refractivity | 41.95980000000002 | RDKit |
