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2,4-Xylidine
CAS: 95-68-1 | C8H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
95-68-1
Molecular Formula:
C8H11N
Molecular Mass:
121.18 g/mol
Names and Synonyms:
2,4-Xylidine
Benzenamine, 2,4-dimethyl-
2,4-Xylidine
2,4-Dimethylbenzenamine
2,4-Dimethylaniline
1-Amino-2,4-dimethylbenzene
4-Amino-1,3-dimethylbenzene
4-Amino-1,3-xylene
m-Xylidine
2,4-Dimethylphenylamine
2,4-Xylylamine
NSC 7640
Identifiers:
SMILES:
Cc1ccc(N)c(C)c1
InChI:
InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
Key Properties
Boiling Point
214 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-14.3 °C
CAS Common Chemistry
Density
0.97 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 | 121.18 g/mol | CAS Common Chemistry |
| 121.183 g/mol | RDKit | |
| 121.08914935199999 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9723 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,4-Xylidine | CAS Common Chemistry |
| Boiling Point | 214 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C(C=C1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CZZZABOKJQXEBO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -14.3 °C | CAS Common Chemistry |
| Name | 2,4-Dimethylaniline | CAS Common Chemistry |
| 2,4-Xylidine | CAS Common Chemistry | |
| Heavy Atom Count | 9 | 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 | 1.88564 | RDKit |
| Molar Refractivity | 40.32840000000001 | RDKit |
