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2,6-Xylidine
CAS: 87-62-7 | C8H11N
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
87-62-7
Molecular Formula:
C8H11N
Molecular Mass:
121.18 g/mol
Names and Synonyms:
2,6-Xylidine
Benzenamine, 2,6-dimethyl-
2,6-Xylidine
2,6-Dimethylbenzenamine
2,6-Dimethylaniline
o-Xylidine
2-Amino-1,3-dimethylbenzene
2-Amino-1,3-xylene
2-Amino-m-xylene
1-Amino-2,6-dimethylbenzene
2,6-Xylylamine
2,6-Dimethylphenylamine
NSC 7098
2,6-Dimethylaminobenzene
Identifiers:
SMILES:
Cc1cccc(C)c1N
InChI:
InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
Key Properties
Boiling Point
216 °C
CAS Common Chemistry
Melting Point
11.2 °C
CAS Common Chemistry
Density
0.98 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 | 0.98 g/cm³ | CAS Common Chemistry |
| 0.9842 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,6-Xylidine | CAS Common Chemistry |
| Boiling Point | 216 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C(=CC=CC1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UFFBMTHBGFGIHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 11.2 °C | CAS Common Chemistry |
| Name | 2,6-Dimethylaniline | CAS Common Chemistry |
| 2,6-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 |
