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Molecule
Dimethyl-O-Toluidine
CAS: 609-72-3 · C9H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 609-72-3
- Molecular Formula
- C9H13N
- Molecular Mass
- 135.21 g/mol
Identifiers
CAS Registry Number
609-72-3
SMILES
Cc1ccccc1N(C)C
InChI Key
JDEJGVSZUIJWBM-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3
Names and Synonyms
- Dimethyl-O-Toluidine Common Name
- Benzenamine, N,N,2-trimethyl- Synonym
- o-Toluidine, N,N-dimethyl- Synonym
- N,N,2-Trimethylbenzenamine Synonym
- N,N-Dimethyl-o-toluidine Synonym
- N,N,2-Trimethylaniline Synonym
- N,N-Dimethyl-2-methylaniline Synonym
- o-Methyldimethylaniline Synonym
- Dimethyl-o-toluidine Synonym
- 2-Methyl-N,N-dimethylaniline Synonym
- o-Methyl-N,N-dimethylaniline Synonym
- N,N-Dimethyl-o-methylaniline Synonym
- 2,N,N-Trimethylaniline Synonym
- NSC 1784 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.21 g/mol | CAS Common Chemistry |
| Boiling Point | 194.1 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=C(C1)N(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JDEJGVSZUIJWBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -60 °C | CAS Common Chemistry |
| Name | Dimethyl-o-toluidine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.06102 | RDKit |
| 2.061 | RDKit | |
| 2.08 | chempirical lib | |
| Molar Refractivity | 45.50600000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 135.104799416 g/mol | RDKit |
| Density | 0.9252-0.9261 g/cm3 @ 20.6 °C | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| 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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MW = 135.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13N.
