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Molecule
1,3-Diaminoguanidine Monohydrochloride
CAS: 36062-19-8 · CH8ClN5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 36062-19-8
- Molecular Formula
- CH8ClN5
- Molecular Mass
- 125.56 g/mol
Identifiers
CAS Registry Number
36062-19-8
SMILES
Cl.N=C(NN)NN
InChI Key
HAZRIBSLCUYMQP-UHFFFAOYSA-N
InChI
InChI=1S/CH7N5.ClH/c2-1(5-3)6-4;/h3-4H2,(H3,2,5,6);1H
Names and Synonyms
- 1,3-Diaminoguanidine Monohydrochloride Systematic Name
- Carbonimidic dihydrazide, hydrochloride (1:1) Synonym
- Carbonimidic dihydrazide, monohydrochloride Synonym
- 1,3-Diaminoguanidine monohydrochloride Synonym
- N,N′-Diaminoguanidine monohydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 125.56 g/mol | CAS Common Chemistry |
| 125.56300000000003 g/mol | RDKit | |
| 125.563 g/mol | RDKit | |
| Canonical SMILES | Cl.N=C(NN)NN | CAS Common Chemistry |
| InChI | InChI=1S/CH7N5.ClH/c2-1(5-3)6-4;/h3-4H2,(H3,2,5,6);1H | CAS Common Chemistry |
| InChI Key | InChIKey=HAZRIBSLCUYMQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3-Diaminoguanidine monohydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.95 Ų | RDKit |
| LogP | -1.7304300000000006 | RDKit |
| -1.7304 | RDKit | |
| Molar Refractivity | 29.620900000000013 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 125.04682293599998 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 = 125.56 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH8ClN5.
