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Molecule
N-(Benzyloxycarbonyloxy)Succinimide
CAS: 13139-17-8 · C12H11NO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13139-17-8
- Molecular Formula
- C12H11NO5
- Molecular Mass
- 249.22 g/mol
Identifiers
CAS Registry Number
13139-17-8
SMILES
O=C(OCc1ccccc1)ON1C(=O)CCC1=O
InChI Key
MJSHDCCLFGOEIK-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2
Names and Synonyms
- N-(Benzyloxycarbonyloxy)Succinimide Common Name
- Carbonic acid, 2,5-dioxo-1-pyrrolidinyl phenylmethyl ester Synonym
- Succinimide, N-(carboxyoxy)-, benzyl ester Synonym
- 2,5-Pyrrolidinedione, 1-[[(phenylmethoxy)carbonyl]oxy]- Synonym
- Carbonic acid, monobenzyl ester, succinimido deriv. Synonym
- N-(Benzyloxycarbonyloxy)succinimide Synonym
- Benzyloxycarbonyloxysuccinimide Synonym
- Benzyl 2,5-dioxopyrrolid-1-yl carbonate Synonym
- N-(N-Benzyloxycarbonyloxy)succinimide Synonym
- Benzyl N-succinimidyl carbonate Synonym
- Benzyl succinimidyl carbonate Synonym
- Cbz-OSu Synonym
- 1-[[(Benzyloxy)carbonyl]oxy]-2,5-pyrrolidinedione Synonym
- 1-[[(Phenylmethoxy)carbonyl]oxy]-2,5-pyrrolidinedione Synonym
- Benzyl 2,5-dioxopyrrolidin-1-yl carbonate Synonym
- 1-[[[(Phenylmethyl)oxy]carbonyl]oxy]-2,5-pyrrolidinedione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.22 g/mol | CAS Common Chemistry |
| 249.22199999999992 g/mol | RDKit | |
| 249.222 g/mol | RDKit | |
| Canonical SMILES | O=C(ON1C(=O)CCC1=O)OCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11NO5/c14-10-6-7-11(15)13(10)18-12(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MJSHDCCLFGOEIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 78-80 °C | CAS Common Chemistry |
| Name | N-(Benzyloxycarbonyloxy)succinimide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.91 Ų | RDKit |
| 72.68 Ų | chempirical lib | |
| LogP | 1.4038000000000002 | RDKit |
| 1.4038 | RDKit | |
| Molar Refractivity | 58.79900000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 249.063722452 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 = 249.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H11NO5.
