Back to Search
3-Amino-2-Oxazolidinone
CAS: 80-65-9 | C3H6N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-65-9
Molecular Formula:
C3H6N2O2
Molecular Mass:
102.09 g/mol
Names and Synonyms:
3-Amino-2-Oxazolidinone
2-Oxazolidinone, 3-amino-
3-Amino-2-oxazolidinone
3-Amino-2-oxazolidone
3-Amino-1,3-oxazolidin-2-one
NSC 111187
NSC 196570
NSC 38250
Identifiers:
SMILES:
NN1CCOC1=O
InChI:
InChI=1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2
Key Properties
Boiling Point
130-135 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
34 °C
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 | 102.09 g/mol | CAS Common Chemistry |
| 102.09299999999999 g/mol | RDKit | |
| 102.042927432 g/mol | RDKit | |
| Boiling Point | 130-135 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1OCCN1N | CAS Common Chemistry |
| InChI | InChI=1S/C3H6N2O2/c4-5-1-2-7-3(5)6/h1-2,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KYCJNIUHWNJNCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34 °C | CAS Common Chemistry |
| Name | 3-Amino-2-oxazolidinone | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.559999999999995 Ų | RDKit |
| LogP | -0.6877000000000002 | RDKit |
| Molar Refractivity | 22.2414 | RDKit |
