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2-(4-Aminophenyl)Ethylamine
CAS: 13472-00-9 | C8H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13472-00-9
Molecular Formula:
C8H12N2
Molecular Mass:
136.20 g/mol
Names and Synonyms:
2-(4-Aminophenyl)Ethylamine
Benzeneethanamine, 4-amino-
Phenethylamine, p-amino-
4-Aminobenzeneethanamine
4-Aminophenylethylamine
4-Amino-β-phenylethylamine
p-(2-Aminoethyl)aniline
2-(4-Aminophenyl)ethylamine
4-Amino-β-phenethylamine
β-(4-Aminophenyl)ethylamine
4-(2-Aminoethyl)aniline
β-(p-Aminophenyl)ethylamine
p-Aminophenethylamine
4-Aminophenethylamine
2-(p-Aminophenyl)ethylamine
2-(4-Aminophenyl)phenethylamine
(p-Aminophenyl)ethylamine
4-(2-Aminoethyl)phenylamine
NSC 299558
NSC 9060
4-(2-Aminoethyl)benzenamine
Identifiers:
SMILES:
NCCc1ccc(N)cc1
InChI:
InChI=1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2
Key Properties
Boiling Point
140-142 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
62-63 °C
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 | 136.20 g/mol | CAS Common Chemistry |
| 136.19799999999998 g/mol | RDKit | |
| 136.100048384 g/mol | RDKit | |
| Boiling Point | 140-142 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C(C=C1)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LNPMZQXEPNWCMG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62-63 °C | CAS Common Chemistry |
| Name | 2-(4-Aminophenyl)ethylamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 0.7699999999999997 | RDKit |
| Molar Refractivity | 43.612800000000014 | RDKit |
