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Molecule
2,4-Dimethyl-6-Nitroaniline
CAS: 1635-84-3 · C8H10N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1635-84-3
- Molecular Formula
- C8H10N2O2
- Molecular Mass
- 166.18 g/mol
Identifiers
CAS Registry Number
1635-84-3
SMILES
Cc1cc(C)c(N)c([N+](=O)[O-])c1
InChI Key
VSRYYONYIUUFFY-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O2/c1-5-3-6(2)8(9)7(4-5)10(11)12/h3-4H,9H2,1-2H3
Names and Synonyms
- 2,4-Dimethyl-6-Nitroaniline Systematic Name
- Benzenamine, 2,4-dimethyl-6-nitro- Synonym
- 2,4-Xylidine, 6-nitro- Synonym
- 2,4-Dimethyl-6-nitrobenzenamine Synonym
- 2-Nitro-4,6-dimethylaniline Synonym
- 4,6-Dimethyl-2-nitroaniline Synonym
- 4-Amino-5-nitro-m-xylene Synonym
- 2,4-Dimethyl-6-nitroaniline Synonym
- 6-Nitro-2,4-xylidine Synonym
- NSC 9816 Synonym
- 2,4-Dimethyl-6-nitro-phenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.18 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C1=CC(=CC(=C1N)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O2/c1-5-3-6(2)8(9)7(4-5)10(11)12/h3-4H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VSRYYONYIUUFFY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68 °C | CAS Common Chemistry |
| Name | 2,4-Dimethyl-6-nitroaniline | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.16 Ų | RDKit |
| 64.32 Ų | chempirical lib | |
| LogP | 1.7938399999999999 | RDKit |
| 1.7938 | RDKit | |
| Molar Refractivity | 46.98280000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 166.07422756 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 166.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O2.
