Back to Search
3,5-Xylidine
CAS: 108-69-0 | C8H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-69-0
Molecular Formula:
C8H11N
Molecular Mass:
121.18 g/mol
Names and Synonyms:
3,5-Xylidine
Benzenamine, 3,5-dimethyl-
3,5-Xylidine
3,5-Dimethylbenzenamine
3,5-Dimethylaniline
5-Amino-1,3-dimethylbenzene
5-Amino-1,3-xylene
3,5-Xylylamine
3,5-Dimethylphenylamine
3,5-Dimethyl-1-aminobenzene
NSC 26880
3,5-Dimethyl-N-phenylamine
Identifiers:
SMILES:
Cc1cc(C)cc(N)c1
InChI:
InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3
Key Properties
Boiling Point
220.5 °C
CAS Common Chemistry
Melting Point
9.8 °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 |
| 121.18299999999999 g/mol | RDKit | |
| 121.08914935199999 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9706 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3,5-Xylidine | CAS Common Chemistry |
| Boiling Point | 220.5 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C=C(C=C(C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MKARNSWMMBGSHX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 9.8 °C | CAS Common Chemistry |
| Name | 3,5-Dimethylaniline | CAS Common Chemistry |
| 3,5-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 | 1.8856399999999998 | RDKit |
| Molar Refractivity | 40.32840000000001 | RDKit |
