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IUPACazane
| Property | Value | Unit | Source |
|---|---|---|---|
| Formal charge | 0 | — | pubchem |
| Molecular formula | H3N | — | pubchem |
| Molecular weight | 17.03 | g/mol | chembl |
| 17.031 | g/mol | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| Boiling point | -28.03 °F at 760 mmHg (EPA, 1998) | — | pubchem |
| Density | 0.6818 at -28.03 °F (EPA, 1998) - Less dense than water; will float | — | pubchem |
| LogP (experimental) | log Kow = -2.66 /estimate for ammonium hydroxide which is the form of ammonia in water/ | — | pubchem |
| Flash point | 132 °C (270 °F) - closed cup | — | pubchem |
| Melting point | -107.9 °F (EPA, 1998) | — | pubchem |
| Vapor pressure | 400 mmHg at -49.72 °F (EPA, 1998) | — | pubchem |
| Water solubility | 34 % (NIOSH, 2024) | — | pubchem |
| Property | Value | Unit | Source |
|---|---|---|---|
| ALogP | 0.16 | — | chembl |
| XLogP | -0.7 | — | pubchem |
| MolLogP (Crippen) | 0.162 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| H-bond acceptors | 1 | — | chembl |
| 1 | — | pubchem | |
| H-bond donors | 1 | — | chembl |
| 1 | — | pubchem | |
| Lipinski violations | 0 | — | chembl |
| 0 | — | rdkit | |
| Passes rule of 3 | Y | — | chembl |
| Rotatable bonds | 0 | — | chembl |
| 0 | — | pubchem | |
| Polar surface area (TPSA) | 35.00 | Ų | chembl |
| 1 | Ų | pubchem | |
| Passes Lipinski rule | Sí | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| QED (drug-likeness) | 0.398 | — | rdkit |
| Passes Veber rule | Sí | — | rdkit |
| Fraction Csp³ | 0 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Complexity | 0 | — | pubchem |
| Heavy atom count | 1 | — | pubchem |
| Molar refractivity | 5.02 | cm³/mol | rdkit |
| Surface area (Labute ASA) | 7.5 | Ų | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Aromatic rings | 0 | — | rdkit |
| Aliphatic rings | 0 | — | rdkit |
| Total rings | 0 | — | rdkit |
| Heteroatoms | 1 | — | rdkit |
| Amide bonds | 0 | — | rdkit |
| Stereocenters | 0 | — | rdkit |
| Property | Value | Unit | Source |
|---|---|---|---|
| Maximum clinical phase | 4.0 | — | chembl |
| Property | Value | Unit | Source |
|---|---|---|---|
| Rdkit class | Hidrocarburo | — | rdkit |