Back to Search
1-Aminohydantoin
CAS: 6301-02-6 | C3H5N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6301-02-6
Molecular Formula:
C3H5N3O2
Molecular Mass:
115.09 g/mol
Names and Synonyms:
1-Aminohydantoin
2,4-Imidazolidinedione, 1-amino-
Hydantoin, 1-amino-
1-Amino-2,4-imidazolidinedione
1-Aminohydantoin
NSC 44144
Identifiers:
SMILES:
NN1CC(O)=NC1=O
InChI:
InChI=1S/C3H5N3O2/c4-6-1-2(7)5-3(6)8/h1,4H2,(H,5,7,8)
Key Properties
Melting Point
195-196 °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 | 115.09 g/mol | CAS Common Chemistry |
| 115.09199999999998 g/mol | RDKit | |
| 115.0381764 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)CN1N | CAS Common Chemistry |
| InChI | InChI=1S/C3H5N3O2/c4-6-1-2(7)5-3(6)8/h1,4H2,(H,5,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=KVYKDNGUEZRPGJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 195-196 °C | CAS Common Chemistry |
| Name | 1-Aminohydantoin | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 78.91999999999999 Ų | RDKit |
| LogP | -0.7478 | RDKit |
| Molar Refractivity | 26.353199999999998 | RDKit |
