Back to Search
Molecule
N-Methyl-4-Nitroaniline
CAS: 100-15-2 · C7H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 100-15-2
- Molecular Formula
- C7H8N2O2
- Molecular Mass
- 152.15 g/mol
Identifiers
CAS Registry Number
100-15-2
SMILES
CNc1ccc([N+](=O)[O-])cc1
InChI Key
XIFJZJPMHNUGRA-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
Names and Synonyms
- N-Methyl-4-Nitroaniline Common Name
- Benzenamine, N-methyl-4-nitro- Synonym
- Aniline, N-methyl-p-nitro- Synonym
- N-Methyl-4-nitrobenzenamine Synonym
- N-Monomethyl-p-nitroaniline Synonym
- N-Methyl-p-nitroaniline Synonym
- N-Methyl-4-nitroaniline Synonym
- p-(Methylamino)nitrobenzene Synonym
- N-Methyl-p-nitraniline Synonym
- 4-Nitro-N-methylaniline Synonym
- p-Nitro-N-methylaniline Synonym
- 4-(Methylamino)nitrobenzene Synonym
- Methyl(4-nitrophenyl)amine Synonym
- NSC 5390 Synonym
- N-(4-Nitrophenyl)-N-methylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.15 g/mol | CAS Common Chemistry |
| 152.15300000000002 g/mol | RDKit | |
| 152.153 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(C=C1)NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XIFJZJPMHNUGRA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152 °C | CAS Common Chemistry |
| Name | N-Methyl-4-nitroaniline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.17 Ų | RDKit |
| 50.33 Ų | chempirical lib | |
| LogP | 1.6364999999999998 | RDKit |
| 1.6365 | RDKit | |
| Molar Refractivity | 42.64310000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 152.058577496 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 = 152.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8N2O2.
2,6-Dimethyl-3-Nitropyridine
CAS 15513-52-7
4,6-Dimethyl-5-Pyrimidinecarboxylic Acid
CAS 157335-93-8
6-Amino-4-Methyl-3-Pyridinecarboxylic Acid
CAS 179555-11-4
N-(Hydroxymethyl)Nicotinamide
CAS 3569-99-1
2-Pyridinecarboxylic acid, 3-amino-, methyl ester
CAS 36052-27-4
3-Hydrazinobenzoic Acid
CAS 38235-71-1
