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Molecule
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
Identifiers
CAS Registry Number
108-69-0
SMILES
Cc1cc(C)cc(N)c1
InChI Key
MKARNSWMMBGSHX-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3
Names and Synonyms
- 3,5-Xylidine Systematic Name
- Benzenamine, 3,5-dimethyl- Synonym
- 3,5-Xylidine Synonym
- 3,5-Dimethylbenzenamine Synonym
- 3,5-Dimethylaniline Synonym
- 5-Amino-1,3-dimethylbenzene Synonym
- 5-Amino-1,3-xylene Synonym
- 3,5-Xylylamine Synonym
- 3,5-Dimethylphenylamine Synonym
- 3,5-Dimethyl-1-aminobenzene Synonym
- NSC 26880 Synonym
- 3,5-Dimethyl-N-phenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 121.18 g/mol | CAS Common Chemistry |
| 121.18299999999999 g/mol | RDKit | |
| 121.183 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9706 g/cm3 @ 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 |
| 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 |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 121.18 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H11N.
