Back to Search
4-Chloro-N-Methylbenzenamine
CAS: 932-96-7 | C7H8ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
932-96-7
Molecular Formula:
C7H8ClN
Molecular Weight:
141.601 g/mol
Names and Synonyms:
4-Chloro-N-Methylbenzenamine
Benzenamine, 4-chloro-N-methyl-
Aniline, p-chloro-N-methyl-
4-Chloro-N-methylbenzenamine
N-Methyl-4-chloroaniline
p-Chloro-N-methylaniline
4-Chloro-N-methylaniline
N-Methyl-p-chloroaniline
p-(Methylamino)chlorobenzene
N-(4-Chlorophenyl)methylamine
N-(4-Chlorophenyl)-N-methylamine
Identifiers:
SMILES:
CNc1ccc(Cl)cc1
InChI:
InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 141.60 g/mol | Legacy Database |
| cas-boiling-point | 240 °C None | Legacy Database |
| cas-canonical-smile | ClC1=CC=C(C=C1)NC None | Legacy Database |
| cas-inchi | InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=XCEYKKJMLOFDSS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4-Chloro-N-methylbenzenamine None | Legacy Database |
| LogP | 2.3817000000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.601 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 141.034526936 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.03 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.998700000000014 | RDKit |
