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Oxazolidine E
CAS: 7747-35-5 | C7H13NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7747-35-5
Molecular Formula:
C7H13NO2
Molecular Weight:
143.18599999999998 g/mol
Names and Synonyms:
Oxazolidine E
1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-
7a-Ethyldihydro-1H,3H,5H-oxazolo[3,4-c]oxazole
5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane
Oxazolidine E
Chemtan A 60
Zoldine ZE
Neosyn TX
Oxaban E
Bioban CS 1246
Paramel TX 50
Amine CS 1246
CS 1246
Canguard 96
Truptan OX-E
RGT 23416
7-Ethylbicyclooxazolidine
Identifiers:
SMILES:
CCC12COCN1COC2
InChI:
InChI=1S/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3
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 |
|---|
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.18599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 143.094628656 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.4126000000000001 | RDKit |
| molecular_mass | 143.19 g/mol | Legacy Database |
| cas-boiling-point | 73 °C @ Press: 29 Torr None | Legacy Database |
| cas-canonical-smile | O1CN2COCC2(C1)CC None | Legacy Database |
| cas-inchi | InChI=1S/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ZRCMGIXRGFOXNT-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Oxazolidine E None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.498999999999995 | RDKit |
