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Dimethyl-P-Toluidine
CAS: 99-97-8 | C9H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-97-8
Molecular Formula:
C9H13N
Molecular Mass:
135.21 g/mol
Names and Synonyms:
Dimethyl-P-Toluidine
Benzenamine, N,N,4-trimethyl-
p-Toluidine, N,N-dimethyl-
N,N,4-Trimethylbenzenamine
N,N-Dimethyl-p-toluidine
p-Methyl-N,N-dimethylaniline
Dimethyl-p-toluidine
N,N-Dimethyl-p-tolylamine
N,N-Dimethyl-4-methylaniline
p,N,N-Trimethylaniline
N,N,4-Trimethylaniline
p-(Dimethylamino)toluene
N,N-Dimethyl-p-methylphenylamine
N,N-Dimethyl-1,4-toluidine
N,N-Dimethyl-p-toluidene
1-(Dimethylamino)-4-methylbenzene
NSC 1785
NL 65-100
4-Dimethylamino-1-methylbenzene
N,N-Dimethyl-p-methylaniline
4-(Dimethylamino)toluene
FirstCure DMPT
Identifiers:
SMILES:
Cc1ccc(N(C)C)cc1
InChI:
InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3
Key Properties
Boiling Point
215 °C
CAS Common Chemistry
Melting Point
113-115 °C @ Solvent: Acetic acid
CAS Common Chemistry
Density
0.90 g/cm³
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 | 135.21 g/mol | CAS Common Chemistry |
| 135.104799416 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 215 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=CC1N(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GYVGXEWAOAAJEU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113-115 °C @ Solvent: Acetic acid | CAS Common Chemistry |
| Name | Dimethyl-p-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 |
| LogP | 2.06102 | RDKit |
| Molar Refractivity | 45.50600000000003 | RDKit |
