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Molecule
O-(Triphenylmethyl)Hydroxylamine
CAS: 31938-11-1 · C19H17NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 31938-11-1
- Molecular Formula
- C19H17NO
- Molecular Mass
- 275.35 g/mol
Identifiers
CAS Registry Number
31938-11-1
SMILES
NOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI Key
NZFHJBSDSXDUAO-UHFFFAOYSA-N
InChI
InChI=1S/C19H17NO/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,20H2
Names and Synonyms
- O-(Triphenylmethyl)Hydroxylamine Common Name
- Hydroxylamine, O-(triphenylmethyl)- Synonym
- O-(Triphenylmethyl)hydroxylamine Synonym
- (Trityloxy)amine Synonym
- O-Tritylhydroxylamine Synonym
- (Triphenylmethoxy)amine Synonym
- [[Triphenylmethyl]oxy]amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 275.35 g/mol | CAS Common Chemistry |
| 275.351 g/mol | RDKit | |
| Canonical SMILES | O(N)C(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H17NO/c20-21-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,20H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NZFHJBSDSXDUAO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83-88 °C @ Solvent: Methanol | CAS Common Chemistry |
| Name | O-(Triphenylmethyl)hydroxylamine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 3.868800000000003 | RDKit |
| 3.8688 | RDKit | |
| Molar Refractivity | 84.48040000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0526 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 275.131014164 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 275.35 g/mol. Edit any field — others recompute live.
