Back to Search
Molecule
2-Bromo-4,6-Dimethylbenzenamine
CAS: 41825-73-4 · C8H10BrN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 41825-73-4
- Molecular Formula
- C8H10BrN
- Molecular Mass
- 200.08 g/mol
Identifiers
CAS Registry Number
41825-73-4
SMILES
Cc1cc(C)c(N)c(Br)c1
InChI Key
YOSJCQJJIHEUKA-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
Names and Synonyms
- 2-Bromo-4,6-Dimethylbenzenamine Systematic Name
- Benzenamine, 2-bromo-4,6-dimethyl- Synonym
- 2,4-Xylidine, 6-bromo- Synonym
- 2-Bromo-4,6-dimethylbenzenamine Synonym
- 6-Bromo-2,4-xylidine Synonym
- 2-Bromo-4,6-dimethylaniline Synonym
- NSC 159243 Synonym
- NSC 99447 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.08 g/mol | CAS Common Chemistry |
| 200.079 g/mol | RDKit | |
| Canonical SMILES | BrC=1C=C(C=C(C1N)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10BrN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YOSJCQJJIHEUKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49-50 °C | CAS Common Chemistry |
| Name | 2-Bromo-4,6-dimethylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 2.6481399999999997 | RDKit |
| 2.6481 | RDKit | |
| 2.45 | chempirical lib | |
| Molar Refractivity | 48.02840000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 198.99966142 g/mol | RDKit |
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 = 200.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10BrN.
