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2,4-Diaminotoluene
CAS: 95-80-7 | C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
95-80-7
Molecular Formula:
C7H10N2
Molecular Mass:
122.17 g/mol
Names and Synonyms:
2,4-Diaminotoluene
1,3-Benzenediamine, 4-methyl-
Toluene-2,4-diamine
4-Methyl-1,3-benzenediamine
2,4-Diaminotoluene
Fouramine J
Fourrine M
Fourrine 94
4-Methyl-m-phenylenediamine
Nako TMT
Pelagol J
Pelagol Grey J
Pontamine Developer TN
Renal MD
m-Toluenediamine
m-Tolylenediamine
2,4-Tolylenediamine
Zoba GKE
2,4-Diamino-1-methylbenzene
C.I. Oxidation Base 35
Eucanine GB
1,3-Diamino-4-methylbenzene
TDA
4-Methyl-1,3-phenylenediamine
Brown for Fur T
TDA (diamine)
3-Amino-4-methylaniline
4-Methyl-1,3-diaminobenzene
2-Methyl-1,5-benzenediamine
Identifiers:
SMILES:
Cc1ccc(N)cc1N
InChI:
InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3
Key Properties
Boiling Point
292 °C
CAS Common Chemistry
Melting Point
99 °C
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 | 122.17 g/mol | CAS Common Chemistry |
| 122.17100000000002 g/mol | RDKit | |
| 122.08439831999999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,4-Diaminotoluene | CAS Common Chemistry |
| Boiling Point | 292 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C(C(N)=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VOZKAJLKRJDJLL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 99 °C | CAS Common Chemistry |
| Name | 2,4-Diaminotoluene | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 1.1594200000000001 | RDKit |
| Molar Refractivity | 40.0038 | RDKit |
