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3-Aminooxetane
CAS: 21635-88-1 | C3H7NO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
21635-88-1
Molecular Formula:
C3H7NO
Molecular Weight:
73.095 g/mol
Names and Synonyms:
3-Aminooxetane
Synonym
3-Oxetanamine
Synonym
3-Oxetanamine
Synonym
(Oxetan-3-yl)amine
Synonym
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
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 73.10 g/mol | Legacy Database |
| cas-boiling-point | 50-82 °C @ Press: 60-70 Torr None | Legacy Database |
| cas-canonical-smile | O1CC(N)C1 None | Legacy Database |
| cas-inchi | InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=OJEOJUQOECNDND-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 3-Oxetanamine None | Legacy Database |
| LogP | -0.6561000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 73.095 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 73.052763844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.25 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 18.794399999999996 | RDKit |