Back to Search
1-(4-Chlorophenyl)Ethylamine
CAS: 6299-02-1 | C8H10ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6299-02-1
Molecular Formula:
C8H10ClN
Molecular Mass:
155.63 g/mol
Names and Synonyms:
1-(4-Chlorophenyl)Ethylamine
Benzenemethanamine, 4-chloro-α-methyl-
Benzylamine, p-chloro-α-methyl-
4-Chloro-α-methylbenzenemethanamine
p-Chloro-α-methylbenzylamine
4-Chloro-α-methylbenzylamine
1-(4-Chlorophenyl)ethylamine
1-(p-Chlorophenyl)ethylamine
(±)-4-Chloro-α-methylbenzenemethanamine
(±)-α-(p-Chlorophenyl)ethylamine
(±)-1-(4-Chlorophenyl)ethylamine
α-(p-Chlorophenyl)ethylamine
α-Methyl-4-chlorobenzenemethanamine
NSC 42452
1-(4-Chlorophenyl)ethanamine
(RS)-1-(p-chlorophenyl)ethylamine
Identifiers:
SMILES:
CC(N)c1ccc(Cl)cc1
InChI:
InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
Key Properties
Boiling Point
105 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
140-141 °C
CAS Common Chemistry
Density
1.12 g/cm³
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 | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.1178 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 105 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)C(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PINPOEWMCLFRRB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140-141 °C | CAS Common Chemistry |
| Name | 1-(4-Chlorophenyl)ethylamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.3597 | RDKit |
| Molar Refractivity | 44.054400000000015 | RDKit |
