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Molecule
3-Oxetanamine
CAS: 21635-88-1 · C3H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 21635-88-1
- Molecular Formula
- C3H7NO
- Molecular Mass
- 73.10 g/mol
Identifiers
CAS Registry Number
21635-88-1
SMILES
NC1COC1
InChI Key
OJEOJUQOECNDND-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2
Names and Synonyms
- 3-Oxetanamine Synonym
- 3-Oxetanamine Synonym
- 3-Aminooxetane Synonym
- (Oxetan-3-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.10 g/mol | CAS Common Chemistry |
| 73.095 g/mol | RDKit | |
| Canonical SMILES | O1CC(N)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OJEOJUQOECNDND-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Oxetanamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | -0.6561000000000001 | RDKit |
| -0.6561 | RDKit | |
| Molar Refractivity | 18.794399999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 73.052763844 g/mol | RDKit |
| Boiling Point | 50-82 °C @ 60-70 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 73.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7NO.
