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Molecule
N-(2-Methylphenyl)Formamide
CAS: 94-69-9 · C8H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 94-69-9
- Molecular Formula
- C8H9NO
- Molecular Mass
- 135.17 g/mol
Identifiers
CAS Registry Number
94-69-9
SMILES
Cc1ccccc1N=CO
InChI Key
ZXTLGJAARBNQGK-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO/c1-7-4-2-3-5-8(7)9-6-10/h2-6H,1H3,(H,9,10)
Names and Synonyms
- N-(2-Methylphenyl)Formamide Common Name
- Formamide, N-(2-methylphenyl)- Synonym
- o-Formotoluidide Synonym
- N-(2-Methylphenyl)formamide Synonym
- o-Methylformanilide Synonym
- o-Tolylformamide Synonym
- o-Methyl-N-formylaniline Synonym
- 2′-Methylformanilide Synonym
- N-o-Tolylformamide Synonym
- N-Formyl-o-toluidine Synonym
- NSC 406128 Synonym
- NSC 62002 Synonym
- N-Formyl-2-methylaniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.17 g/mol | CAS Common Chemistry |
| 135.166 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 |
| 2.2128 | RDKit | |
| Molar Refractivity | 41.959800000000016 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 135.068413908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 135.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9NO.
