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4-Chloro-N-Ethylbenzenamine
CAS: 13519-75-0 | C8H10ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13519-75-0
Molecular Formula:
C8H10ClN
Molecular Mass:
155.63 g/mol
Names and Synonyms:
4-Chloro-N-Ethylbenzenamine
Benzenamine, 4-chloro-N-ethyl-
Aniline, p-chloro-N-ethyl-
4-Chloro-N-ethylbenzenamine
p-Chloro-N-ethylaniline
N-Ethyl-p-chloroaniline
N-Ethyl-4-chloroaniline
4-Chloro-N-ethylaniline
N-(4-Chlorophenyl)-N-ethylamine
N-(4-Chlorophenyl)ethylamine
Identifiers:
SMILES:
CCNc1ccc(Cl)cc1
InChI:
InChI=1S/C8H10ClN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
Key Properties
Boiling Point
247-250 °C @ Press: 760 Torr
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.63 g/mol | CAS Common Chemistry |
| 155.628 g/mol | RDKit | |
| 155.050177 g/mol | RDKit | |
| Boiling Point | 247-250 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)NCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H10ClN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KLWDPIXDUVYHMS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Chloro-N-ethylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.7718000000000007 | RDKit |
| Molar Refractivity | 45.61570000000002 | RDKit |
