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N-(Benzyloxycarbonyloxy)Succinimide
CAS: 13139-17-8 | C12H11NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13139-17-8
Molecular Formula:
C12H11NO5
Molecular Mass:
249.22 g/mol
Names and Synonyms:
N-(Benzyloxycarbonyloxy)Succinimide
Carbonic acid, 2,5-dioxo-1-pyrrolidinyl phenylmethyl ester
Succinimide, N-(carboxyoxy)-, benzyl ester
2,5-Pyrrolidinedione, 1-[[(phenylmethoxy)carbonyl]oxy]-
Carbonic acid, monobenzyl ester, succinimido deriv.
N-(Benzyloxycarbonyloxy)succinimide
Benzyloxycarbonyloxysuccinimide
Benzyl 2,5-dioxopyrrolid-1-yl carbonate
N-(N-Benzyloxycarbonyloxy)succinimide
Benzyl N-succinimidyl carbonate
Benzyl succinimidyl carbonate
Cbz-OSu
1-[[(Benzyloxy)carbonyl]oxy]-2,5-pyrrolidinedione
1-[[(Phenylmethoxy)carbonyl]oxy]-2,5-pyrrolidinedione
Benzyl 2,5-dioxopyrrolidin-1-yl carbonate
1-[[[(Phenylmethyl)oxy]carbonyl]oxy]-2,5-pyrrolidinedione
Identifiers:
SMILES:
O=C(OCc1ccccc1)ON1C(=O)CCC1=O
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
Key Properties
Melting Point
78-80 °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 |
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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 | 249.22 g/mol | CAS Common Chemistry |
| 249.22199999999992 g/mol | RDKit | |
| 249.063722452 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 |
| LogP | 1.4038000000000002 | RDKit |
| Molar Refractivity | 58.79900000000003 | RDKit |
