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Molecule
N,O-Bis(Tert-Butoxycarbonyl)Hydroxylamine
CAS: 85006-25-3 · C10H19NO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 85006-25-3
- Molecular Formula
- C10H19NO5
- Molecular Mass
- 233.26 g/mol
Identifiers
CAS Registry Number
85006-25-3
SMILES
CC(C)(C)OC(=O)ON=C(O)OC(C)(C)C
InChI Key
AGOSGCWATIJZHQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H19NO5/c1-9(2,3)14-7(12)11-16-8(13)15-10(4,5)6/h1-6H3,(H,11,12)
Names and Synonyms
- N,O-Bis(Tert-Butoxycarbonyl)Hydroxylamine Systematic Name
- Carbonic acid, [[(1,1-dimethylethoxy)carbonyl]azanyl] 1,1-dimethylethyl ester Synonym
- Carbamic acid, [[(1,1-dimethylethoxy)carbonyl]oxy]-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, (tert-butoxycarbonyloxy)-, tert-butyl ester Synonym
- N,O-Bis(tert-butoxycarbonyl)hydroxylamine Synonym
- tert-Butyl N-(tert-butoxycarbonyloxy)carbamate Synonym
- tert-Butyl (tert-butoxycarbonyloxy)carbamate Synonym
- N,O-(tert-Butoxycarbonyl)hydroxylamine Synonym
- [(tert-Butoxycarbonyl)oxy]carbamic acid tert-butyl ester Synonym
- 2-[[([[(tert-Butoxy)carbonyl]amino]oxy)carbonyl]oxy]-2-methylpropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 233.26 g/mol | CAS Common Chemistry |
| 233.26399999999995 g/mol | RDKit | |
| 233.264 g/mol | RDKit | |
| Canonical SMILES | O=C(ONC(=O)OC(C)(C)C)OC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H19NO5/c1-9(2,3)14-7(12)11-16-8(13)15-10(4,5)6/h1-6H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=AGOSGCWATIJZHQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 67-69 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | N,O-Bis(tert-butoxycarbonyl)hydroxylamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.35000000000001 Ų | RDKit |
| 77.35 Ų | RDKit | |
| LogP | 2.582200000000001 | RDKit |
| 2.5822 | RDKit | |
| Molar Refractivity | 58.22080000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 233.126322708 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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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.
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MW = 233.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H19NO5.
