Back to Search
Molecule
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
Identifiers
CAS Registry Number
95-64-7
SMILES
Cc1ccc(N)cc1C
InChI Key
DOLQYFPDPKPQSS-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
Names and Synonyms
- 3,4-Xylidine Systematic Name
- Benzenamine, 3,4-dimethyl- Synonym
- 3,4-Xylidine Synonym
- 3,4-Dimethylbenzenamine Synonym
- 3,4-Dimethylaniline Synonym
- 4-Amino-1,2-dimethylbenzene Synonym
- 3,4-Dimethylaminobenzene Synonym
- 1-Amino-3,4-dimethylbenzene Synonym
- 4-Amino-o-xylene Synonym
- 3,4-Xylylamine Synonym
- 3,4-Dimethylphenylamine Synonym
- NSC 41800 Synonym
- NSC 7099 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.18 g/mol | CAS Common Chemistry |
| 121.183 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.076 g/cm3 @ 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3,4-Xylidine | 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 |
| 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 |
| 1.8856 | RDKit | |
| Molar Refractivity | 40.32840000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 121.08914935199999 g/mol | RDKit |
| Boiling Point | 228 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 121.18 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11N.
