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Molecule
Carbonohydrazonic Dihydrazide, Hydrochloride (1:1)
CAS: 5329-29-3 · CH9ClN6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5329-29-3
- Molecular Formula
- CH9ClN6
- Molecular Mass
- 140.58 g/mol
Identifiers
CAS Registry Number
5329-29-3
SMILES
Cl.NN=C(NN)NN
InChI Key
OJUDFURAIYFYBP-UHFFFAOYSA-N
InChI
InChI=1S/CH8N6.ClH/c2-5-1(6-3)7-4;/h2-4H2,(H2,5,6,7);1H
Names and Synonyms
- Carbonohydrazonic Dihydrazide, Hydrochloride (1:1) Synonym
- Carbonohydrazonic dihydrazide, hydrochloride (1:1) Synonym
- Guanidine, 1,2,3-triamino-, monohydrochloride Synonym
- Carbonohydrazonic dihydrazide, monohydrochloride Synonym
- Triaminoguanidine hydrochloride Synonym
- 1,2,3-Triaminoguanidinium chloride Synonym
- Triaminoguanidinium chloride Synonym
- Triaminoguanidine monohydrochloride Synonym
- 1,2,3-Triaminoguanidine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 140.58 g/mol | CAS Common Chemistry |
| 140.578 g/mol | RDKit | |
| 140.575 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N(N)=C(NN)NN | CAS Common Chemistry |
| InChI | InChI=1S/CH8N6.ClH/c2-5-1(6-3)7-4;/h2-4H2,(H2,5,6,7);1H | CAS Common Chemistry |
| InChI Key | InChIKey=OJUDFURAIYFYBP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 234-236 °C @ Solvent: Water | CAS Common Chemistry |
| Name | Carbonohydrazonic dihydrazide, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 114.47999999999999 Ų | RDKit |
| 114.48 Ų | RDKit | |
| LogP | -2.4355 | RDKit |
| Molar Refractivity | 33.51660000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 140.05772196799998 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 = 140.58 g/mol. Edit any field — others recompute live.
