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1-(4-Bromophenyl)Ethylamine
CAS: 24358-62-1 | C8H10BrN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24358-62-1
Molecular Formula:
C8H10BrN
Molecular Mass:
200.08 g/mol
Names and Synonyms:
1-(4-Bromophenyl)Ethylamine
Benzenemethanamine, 4-bromo-α-methyl-
Benzylamine, p-bromo-α-methyl-
4-Bromo-α-methylbenzenemethanamine
1-(4′-Bromophenyl)ethylamine
1-(p-Bromophenyl)ethylamine
1-(4-Bromophenyl)ethylamine
(±)-p-Bromo-α-methylbenzylamine
(RS)-1-(p-Bromophenyl)ethylamine
α-(p-Bromophenyl)ethylamine
α-Methyl-4-bromobenzenemethanamine
4-(1-Aminoethyl)-1-bromobenzene
(±)-1-(4-Bromophenyl)ethylamine
4-Bromo-1-(1-aminoethyl)benzene
(4-Bromo-α-methylbenzyl)amine
1-(4-Bromophenyl)ethanamine
α-Methyl-p-bromobenzylamine
1-(4-Bromophenyl)ethaneamine
1-(4-Bromophenyl)ethan-1-amine
Identifiers:
SMILES:
CC(N)c1ccc(Br)cc1
InChI:
InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3
Key Properties
Boiling Point
95 °C @ Press: 4 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 | 200.08 g/mol | CAS Common Chemistry |
| 200.07899999999998 g/mol | RDKit | |
| 198.99966142 g/mol | RDKit | |
| Boiling Point | 95 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | BrC1=CC=C(C=C1)C(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SOZMSEPDYJGBEK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(4-Bromophenyl)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 | 2.4688000000000008 | RDKit |
| Molar Refractivity | 46.74440000000001 | RDKit |
