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N-(2-Methylphenyl)Formamide
CAS: 94-69-9 | C8H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94-69-9
Molecular Formula:
C8H9NO
Molecular Mass:
135.17 g/mol
Names and Synonyms:
N-(2-Methylphenyl)Formamide
Formamide, N-(2-methylphenyl)-
o-Formotoluidide
N-(2-Methylphenyl)formamide
o-Methylformanilide
o-Tolylformamide
o-Methyl-N-formylaniline
2′-Methylformanilide
N-o-Tolylformamide
N-Formyl-o-toluidine
NSC 406128
NSC 62002
N-Formyl-2-methylaniline
Identifiers:
SMILES:
Cc1ccccc1N=CO
InChI:
InChI=1S/C8H9NO/c1-7-4-2-3-5-8(7)9-6-10/h2-6H,1H3,(H,9,10)
Key Properties
Boiling Point
288 °C
CAS Common Chemistry
Melting Point
62 °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 | |
| Boiling Point | 288 °C | CAS Common Chemistry |
| Canonical SMILES | O=CNC=1C=CC=CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO/c1-7-4-2-3-5-8(7)9-6-10/h2-6H,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=ZXTLGJAARBNQGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62 °C | CAS Common Chemistry |
| Name | N-(2-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 | 41.959800000000016 | RDKit |
