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Molecule
Oxazolidine E
CAS: 7747-35-5 · C7H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7747-35-5
- Molecular Formula
- C7H13NO2
- Molecular Mass
- 143.19 g/mol
Identifiers
CAS Registry Number
7747-35-5
SMILES
CCC12COCN1COC2
InChI Key
ZRCMGIXRGFOXNT-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3
Names and Synonyms
- Oxazolidine E Synonym
- 1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro- Synonym
- 7a-Ethyldihydro-1H,3H,5H-oxazolo[3,4-c]oxazole Synonym
- 5-Ethyl-1-aza-3,7-dioxabicyclo[3.3.0]octane Synonym
- Oxazolidine E Synonym
- Chemtan A 60 Synonym
- Zoldine ZE Synonym
- Neosyn TX Synonym
- Oxaban E Synonym
- Bioban CS 1246 Synonym
- Paramel TX 50 Synonym
- Amine CS 1246 Synonym
- CS 1246 Synonym
- Canguard 96 Synonym
- Truptan OX-E Synonym
- RGT 23416 Synonym
- 7-Ethylbicyclooxazolidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.19 g/mol | CAS Common Chemistry |
| 143.18599999999998 g/mol | RDKit | |
| 143.186 g/mol | RDKit | |
| Canonical SMILES | O1CN2COCC2(C1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H13NO2/c1-2-7-3-9-5-8(7)6-10-4-7/h2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZRCMGIXRGFOXNT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Oxazolidine E | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 0.4126000000000001 | RDKit |
| 0.4126 | RDKit | |
| Molar Refractivity | 36.498999999999995 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 143.094628656 g/mol | RDKit |
| Boiling Point | 73 °C @ 29 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 143.19 g/mol. Edit any field — others recompute live.
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