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2,2-Diphenylethylamine
CAS: 3963-62-0 | C14H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3963-62-0
Molecular Formula:
C14H15N
Molecular Mass:
197.28 g/mol
Names and Synonyms:
2,2-Diphenylethylamine
Benzeneethanamine, β-phenyl-
Ethylamine, 2,2-diphenyl-
β-Phenylbenzeneethanamine
Ethanamine, 2,2-diphenyl-
2,2-Diphenethylamine
2,2-Diphenylethylamine
2,2-Diphenylethanamine
IEM 2009
β,β-Diphenylethylamine
NSC 27209
2,2-Diphenylethan-1-amine
Identifiers:
SMILES:
NCC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2
Key Properties
Boiling Point
170 °C @ Press: 11 Torr
CAS Common Chemistry
Melting Point
38 °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 | 170 °C @ Press: 11 Torr | CAS Common Chemistry |
| Canonical SMILES | NCC(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RXMTUVIKZRXSSM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 38 °C | CAS Common Chemistry |
| Name | 2,2-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 | 2.7772000000000014 | RDKit |
| Molar Refractivity | 63.78140000000003 | RDKit |
