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3,3-Diphenylpropylamine
CAS: 5586-73-2 | C15H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5586-73-2
Molecular Formula:
C15H17N
Molecular Mass:
211.31 g/mol
Names and Synonyms:
3,3-Diphenylpropylamine
Benzenepropanamine, γ-phenyl-
Propylamine, 3,3-diphenyl-
γ-Phenylbenzenepropanamine
Diphenylpropylamine
3,3-Diphenylpropylamine
3,3-Diphenyl-1-propylamine
1-Amino-3,3-diphenylpropane
3,3-Diphenyl-1-propanamine
IEM 2011
NSC 137832
3,3′-Diphenylpropylamine
Identifiers:
SMILES:
NCCC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2
Key Properties
Boiling Point
150 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
58-60 °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 | 211.31 g/mol | CAS Common Chemistry |
| 211.308 g/mol | RDKit | |
| 211.136099544 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3,3-Diphenylpropylamine | CAS Common Chemistry |
| Boiling Point | 150 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | NCCC(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H17N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KISZTEOELCMZPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58-60 °C | CAS Common Chemistry |
| Name | 3,3-Diphenylpropylamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.167300000000002 | RDKit |
| Molar Refractivity | 68.39840000000004 | RDKit |
