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Molecule
2-Aminoimidazole
CAS: 7720-39-0 · C3H5N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7720-39-0
- Molecular Formula
- C3H5N3
- Molecular Mass
- 83.09 g/mol
Identifiers
CAS Registry Number
7720-39-0
SMILES
N=c1[nH]cc[nH]1
InChI Key
DEPDDPLQZYCHOH-UHFFFAOYSA-N
InChI
InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
Names and Synonyms
- 2-Aminoimidazole Synonym
- 1H-Imidazol-2-amine Synonym
- Imidazole, 2-amino- Synonym
- 2-Aminoimidazole Synonym
- 2-Imidazolamine Synonym
- 1H-Imidazole-2-amine Synonym
- 2-Amino-1H-imidazole Synonym
- (1H-Imidazol-2-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 83.09 g/mol | CAS Common Chemistry |
| 83.09400000000001 g/mol | RDKit | |
| 83.094 g/mol | RDKit | |
| Canonical SMILES | N=1C=CNC1N | CAS Common Chemistry |
| InChI | InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=DEPDDPLQZYCHOH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Aminoimidazole | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.43 Ų | RDKit |
| LogP | -0.1777300000000001 | RDKit |
| -0.1777 | RDKit | |
| Molar Refractivity | 20.9981 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 83.04834715999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 83.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H5N3.
