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Dibenzylhydroxylamine
CAS: 621-07-8 | C14H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
621-07-8
Molecular Formula:
C14H15NO
Molecular Mass:
213.28 g/mol
Names and Synonyms:
Dibenzylhydroxylamine
Benzenemethanamine, N-hydroxy-N-(phenylmethyl)-
Hydroxylamine, N,N-dibenzyl-
N-Hydroxy-N-(phenylmethyl)benzenemethanamine
N,N-Dibenzylhydroxylamine
Dibenzylhydroxylamine
NSC 93968
N-Hydroxydibenzylamine
Identifiers:
SMILES:
ON(Cc1ccccc1)Cc1ccccc1
InChI:
InChI=1S/C14H15NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2
Key Properties
Melting Point
123 °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 | 213.28 g/mol | CAS Common Chemistry |
| 213.27999999999997 g/mol | RDKit | |
| 213.1153641 g/mol | RDKit | |
| Canonical SMILES | ON(CC=1C=CC=CC1)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H15NO/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,16H,11-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GXELTROTKVKZBQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 123 °C | CAS Common Chemistry |
| Name | Dibenzylhydroxylamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| LogP | 3.078000000000002 | RDKit |
| Molar Refractivity | 63.91750000000004 | RDKit |
