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3-Aminooxetane
CAS: 21635-88-1 | C3H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
21635-88-1
Molecular Formula:
C3H7NO
Molecular Weight:
73.095 g/mol
Names and Synonyms:
3-Aminooxetane
3-Oxetanamine
3-Oxetanamine
(Oxetan-3-yl)amine
Identifiers:
SMILES:
NC1COC1
InChI:
InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 73.10 g/mol | Legacy Database |
| cas-boiling-point | 50-82 °C @ Press: 60-70 Torr | Legacy Database | |
| cas-canonical-smile | O1CC(N)C1 | Legacy Database | |
| cas-inchi | InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2 | Legacy Database | |
| cas-inchi-key | InChIKey=OJEOJUQOECNDND-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 3-Oxetanamine | Legacy Database | |
| LogP | -0.6561000000000001 | RDKit | |
| Molecular | Molecular Weight | 73.095 g/mol | RDKit |
| Exact | Exact Molecular Weight | 73.052763844 g/mol | RDKit |
| Heavy | Heavy Atom Count | 5 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 35.25 Ų | RDKit |
| Molar | Molar Refractivity | 18.794399999999996 | RDKit |
