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1,2-Diphenylethylamine
CAS: 25611-78-3 | C14H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25611-78-3
Molecular Formula:
C14H15N
Molecular Mass:
197.28 g/mol
Names and Synonyms:
1,2-Diphenylethylamine
Benzeneethanamine, α-phenyl-
Ethylamine, 1,2-diphenyl-
α-Phenylbenzeneethanamine
Ethanamine, 1,2-diphenyl-
1,2-Diphenylethylamine
α-Benzylbenzylamine
1-Amino-1,2-diphenylethane
(±)-α-Phenylphenethylamine
dl-α-Benzylbenzylamine
(±)-α,β-Diphenylethylamine
DL-1,2-Diphenylethylamine
(±)-1,2-Diphenylethylamine
1,2-Diphenethylamine
1,2-Diphenylethanamine
1,2-Diphenylethan-1-amine
Identifiers:
SMILES:
NC(Cc1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2
Key Properties
Boiling Point
311 °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 | 197.28 g/mol | CAS Common Chemistry |
| 197.28099999999998 g/mol | RDKit | |
| 197.12044948 g/mol | RDKit | |
| Boiling Point | 311 °C | CAS Common Chemistry |
| Canonical SMILES | NC(C=1C=CC=CC1)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DTGGNTMERRTPLR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2-Diphenylethylamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.929100000000002 | RDKit |
| Molar Refractivity | 63.51640000000003 | RDKit |
