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Molecule
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
Identifiers
CAS Registry Number
621-07-8
SMILES
ON(Cc1ccccc1)Cc1ccccc1
InChI Key
GXELTROTKVKZBQ-UHFFFAOYSA-N
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
Names and Synonyms
- Dibenzylhydroxylamine Synonym
- Benzenemethanamine, N-hydroxy-N-(phenylmethyl)- Synonym
- Hydroxylamine, N,N-dibenzyl- Synonym
- N-Hydroxy-N-(phenylmethyl)benzenemethanamine Synonym
- N,N-Dibenzylhydroxylamine Synonym
- Dibenzylhydroxylamine Synonym
- NSC 93968 Synonym
- N-Hydroxydibenzylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.28 g/mol | CAS Common Chemistry |
| 213.27999999999997 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 |
| 23.24 Ų | chempirical lib | |
| LogP | 3.078000000000002 | RDKit |
| 3.078 | RDKit | |
| Molar Refractivity | 63.91750000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 213.1153641 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 213.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H15NO.
