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Molecule
Amoz
CAS: 43056-63-9 · C8H15N3O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 43056-63-9
- Molecular Formula
- C8H15N3O3
- Molecular Mass
- 201.23 g/mol
Identifiers
CAS Registry Number
43056-63-9
SMILES
NN1CC(CN2CCOCC2)OC1=O
InChI Key
TVHAMVOINIHMEX-UHFFFAOYSA-N
InChI
InChI=1S/C8H15N3O3/c9-11-6-7(14-8(11)12)5-10-1-3-13-4-2-10/h7H,1-6,9H2
Names and Synonyms
- Amoz Synonym
- 2-Oxazolidinone, 3-amino-5-(4-morpholinylmethyl)- Synonym
- 2-Oxazolidinone, 3-amino-5-(morpholinomethyl)- Synonym
- 3-Amino-5-(4-morpholinylmethyl)-2-oxazolidinone Synonym
- AMOZ Synonym
- 3-Amino-5-morpholinomethyl-2-oxazolidone Synonym
- 3-Amino-5-morpholinomethyl-2-oxazolidinone Synonym
- 3-Amino-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one Synonym
- 3-Amino-5-[(morpholin-4-yl)methyl]-1,3-oxazolidin-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.23 g/mol | CAS Common Chemistry |
| 201.22599999999997 g/mol | RDKit | |
| 201.226 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(CN1N)CN2CCOCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H15N3O3/c9-11-6-7(14-8(11)12)5-10-1-3-13-4-2-10/h7H,1-6,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=TVHAMVOINIHMEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120 °C @ Solvent: Isopropanol | CAS Common Chemistry |
| Name | AMOZ | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 68.03 Ų | RDKit |
| 67.57 Ų | chempirical lib | |
| LogP | -0.9868999999999997 | RDKit |
| -0.9869 | RDKit | |
| Molar Refractivity | 48.42140000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 201.11134134 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 201.23 g/mol. Edit any field — others recompute live.
