Back to Search
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
Names and Synonyms:
3-Oxetanamine
3-Oxetanamine
3-Aminooxetane
(Oxetan-3-yl)amine
Identifiers:
SMILES:
NC1COC1
InChI:
InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2
Key Properties
Boiling Point
50-82 °C @ Press: 60-70 Torr
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.10 g/mol | CAS Common Chemistry |
| 73.095 g/mol | RDKit | |
| 73.052763844 g/mol | RDKit | |
| Boiling Point | 50-82 °C @ Press: 60-70 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 18.794399999999996 | RDKit |
Related Molecules
Other compounds with formula C3H7NO
