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Molecule
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
Identifiers
CAS Registry Number
13519-75-0
SMILES
CCNc1ccc(Cl)cc1
InChI Key
KLWDPIXDUVYHMS-UHFFFAOYSA-N
InChI
InChI=1S/C8H10ClN/c1-2-10-8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3
Names and Synonyms
- 4-Chloro-N-Ethylbenzenamine Synonym
- Benzenamine, 4-chloro-N-ethyl- Synonym
- Aniline, p-chloro-N-ethyl- Synonym
- 4-Chloro-N-ethylbenzenamine Synonym
- p-Chloro-N-ethylaniline Synonym
- N-Ethyl-p-chloroaniline Synonym
- N-Ethyl-4-chloroaniline Synonym
- 4-Chloro-N-ethylaniline Synonym
- N-(4-Chlorophenyl)-N-ethylamine Synonym
- N-(4-Chlorophenyl)ethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.63 g/mol | CAS Common Chemistry |
| 155.628 g/mol | RDKit | |
| 155.625 g/mol | chempirical lib | |
| 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 |
| 2.7718 | RDKit | |
| Molar Refractivity | 45.61570000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 155.050177 g/mol | RDKit |
| Boiling Point | 247-250 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 155.63 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10ClN.
