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Dibenzylamine
CAS: 103-49-1 | C14H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103-49-1
Molecular Formula:
C14H15N
Molecular Mass:
197.28 g/mol
Names and Synonyms:
Dibenzylamine
Benzenemethanamine, N-(phenylmethyl)-
Dibenzylamine
N-(Phenylmethyl)benzenemethanamine
DBA
N-Benzylbenzylamine
N,N-Dibenzylamine
(N-Benzylaminomethyl)benzene
Bibenzylamine
NSC 4811
Bisbenzylamine
N-Benzyl-1-phenylmethanamine
Identifiers:
SMILES:
c1ccc(CNCc2ccccc2)cc1
InChI:
InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
Key Properties
Boiling Point
270 °C
CAS Common Chemistry
Melting Point
-26 °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 |
| 197.28100000000003 g/mol | RDKit | |
| 197.12044948 g/mol | RDKit | |
| Boiling Point | 270 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)CNCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BWLUMTFWVZZZND-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -26 °C | CAS Common Chemistry |
| Name | Dibenzylamine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.9764000000000017 | RDKit |
| Molar Refractivity | 63.42770000000004 | RDKit |
