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Molecule
M-Toluidine
CAS: 108-44-1 · C7H9N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 108-44-1
- Molecular Formula
- C7H9N
- Molecular Mass
- 107.16 g/mol
Identifiers
CAS Registry Number
108-44-1
SMILES
Cc1cccc(N)c1
InChI Key
JJYPMNFTHPTTDI-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
Names and Synonyms
- M-Toluidine Synonym
- Benzenamine, 3-methyl- Synonym
- m-Toluidine Synonym
- 3-Methylbenzenamine Synonym
- 3-Aminotoluene Synonym
- 3-Methylaniline Synonym
- m-Aminotoluene Synonym
- 3-Toluidine Synonym
- 3-Aminophenylmethane Synonym
- 1-Amino-3-methylbenzene Synonym
- m-Tolylamine Synonym
- 3-Methylphenylamine Synonym
- (m-Methylphenyl)amine Synonym
- m-Methylaniline Synonym
- NSC 15349 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 107.16 g/mol | CAS Common Chemistry |
| 107.156 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9889 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 203.3 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=CC(=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JJYPMNFTHPTTDI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -31.2 °C | CAS Common Chemistry |
| Name | m-Toluidine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.5772199999999998 | RDKit |
| 1.5772 | RDKit | |
| Molar Refractivity | 35.59139999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 107.073499288 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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Quick conversion
MW = 107.16 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9N.
