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3-Amino-4-Cyanofurazan
CAS: 156463-85-3 | C3H2N4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
156463-85-3
Molecular Formula:
C3H2N4O
Names and Synonyms:
3-Amino-4-Cyanofurazan
1,2,5-Oxadiazole-3-carbonitrile, 4-amino-
4-Amino-1,2,5-oxadiazole-3-carbonitrile
3-Amino-1,2,5-oxadiazole-4-carbonitrile
3-Amino-4-cyano-1,2,5-oxadiazole
3-Amino-4-cyanofurazan
4-Aminofurazan-3-carbonitrile
Identifiers:
SMILES:
N#Cc1no[nH]c1=N
InChI:
InChI=1S/C3H2N4O/c4-1-2-3(5)7-8-6-2/h(H2,5,7)
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 |
|---|---|---|
| Physical Properties | 110.08 g/mol | Legacy Database |
| N#CC1=NON=C1N | Legacy Database | |
| InChI=1S/C3H2N4O/c4-1-2-3(5)7-8-6-2/h(H2,5,7) | Legacy Database | |
| InChIKey=SJAYVHFNURJLAG-UHFFFAOYSA-N | Legacy Database | |
| 85-87 °C | Legacy Database | |
| 3-Amino-4-cyanofurazan | Legacy Database | |
| -0.64615 | RDKit | |
| Molecular | 110.076 g/mol | RDKit |
| Exact | 110.022860684 g/mol | RDKit |
| Heavy | 8 count | RDKit |
| Hydrogen | 4 count | RDKit |
| 2 count | RDKit | |
| Rotatable | 0 count | RDKit |
| Aromatic | 1 count | RDKit |
| Topological | 89.46000000000001 Ų | RDKit |
| Molar | 21.423400000000004 | RDKit |
