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Molecule
Dimethyl-M-Toluidine
CAS: 121-72-2 · C9H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 121-72-2
- Molecular Formula
- C9H13N
- Molecular Mass
- 135.21 g/mol
Identifiers
CAS Registry Number
121-72-2
SMILES
Cc1cccc(N(C)C)c1
InChI Key
CWOMTHDOJCARBY-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
Names and Synonyms
- Dimethyl-M-Toluidine Synonym
- Benzenamine, N,N,3-trimethyl- Synonym
- m-Toluidine, N,N-dimethyl- Synonym
- N,N,3-Trimethylbenzenamine Synonym
- N,N-Dimethyl-m-methylaniline Synonym
- m-Methyl-N,N-dimethylaniline Synonym
- N,N-Dimethyl-3-methylaniline Synonym
- m,N,N-Trimethylaniline Synonym
- Dimethyl-m-toluidine Synonym
- N,N,3-Trimethylaniline Synonym
- 3-Methyl-N,N-dimethylaniline Synonym
- 3-(Dimethylamino)toluene Synonym
- N,N-Dimethyl-m-toluidine Synonym
- NSC 1788 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.21 g/mol | CAS Common Chemistry |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9410 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 212 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=C(C1)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CWOMTHDOJCARBY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 72 °C | CAS Common Chemistry |
| Name | Dimethyl-m-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 |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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; density = 0.940 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13N.
