Back to Search
3,4-Xylidine
CAS: 95-64-7 | C8H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
95-64-7
Molecular Formula:
C8H11N
Molecular Mass:
121.18 g/mol
Names and Synonyms:
3,4-Xylidine
Benzenamine, 3,4-dimethyl-
3,4-Xylidine
3,4-Dimethylbenzenamine
3,4-Dimethylaniline
4-Amino-1,2-dimethylbenzene
3,4-Dimethylaminobenzene
1-Amino-3,4-dimethylbenzene
4-Amino-o-xylene
3,4-Xylylamine
3,4-Dimethylphenylamine
NSC 41800
NSC 7099
Identifiers:
SMILES:
Cc1ccc(N)cc1C
InChI:
InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
Key Properties
Boiling Point
228 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
51 °C
CAS Common Chemistry
Density
1.08 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 | 1.08 g/cm³ | CAS Common Chemistry |
| 1.076 g/cm3 @ Temp: 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3,4-Xylidine | CAS Common Chemistry |
| Boiling Point | 228 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C(C(=C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DOLQYFPDPKPQSS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 51 °C | CAS Common Chemistry |
| Name | 3,4-Dimethylaniline | CAS Common Chemistry |
| 3,4-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 |
