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Dibenzylaniline
CAS: 91-73-6 | C20H19N
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
91-73-6
Molecular Formula:
C20H19N
Molecular Mass:
273.38 g/mol
Names and Synonyms:
Dibenzylaniline
Benzenemethanamine, N-phenyl-N-(phenylmethyl)-
Dibenzylamine, N-phenyl-
N-Phenyl-N-(phenylmethyl)benzenemethanamine
N,N-Dibenzylaniline
Benzenamine, N,N-bis(phenylmethyl)-
Dibenzylaniline
N-Phenyldibenzylamine
NSC 6243
Identifiers:
SMILES:
c1ccc(CN(Cc2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C20H19N/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1-15H,16-17H2
Key Properties
Boiling Point
226 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
69 °C
CAS Common Chemistry
Density
1.04 g/cm³
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 | 273.38 g/mol | CAS Common Chemistry |
| 273.379 g/mol | RDKit | |
| 273.151749608 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.04436 g/cm3 @ Temp: 80 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibenzylaniline | CAS Common Chemistry |
| Boiling Point | 226 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)N(CC=2C=CC=CC2)CC=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H19N/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1-15H,16-17H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ISGXOWLMGOPVPB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69 °C | CAS Common Chemistry |
| Name | Dibenzylaniline | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 4.893400000000004 | RDKit |
| Molar Refractivity | 89.21300000000005 | RDKit |
