HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 122754Generated: October 23, 2026
4-Toluamidine
4-methylbenzimidamide · Benzenecarboximidamide, 4-methyl-
https://huagongshe.com/en/chemical/122754
Identifiers & Physical Properties
| CAS No. | 18465-11-7 |
|---|
| Molecular formula | C8H10N2 |
|---|
| Average molar mass | 134.18 g/mol |
|---|
| Monoisotopic mass | 134.08439832 g/mol |
|---|
| SMILES | Cc1ccc(C(=N)N)cc1 |
|---|
| InChIKey | UBYXITFNZVIVDW-UHFFFAOYSA-N |
|---|
| PubChem CID | 122754 |
|---|
| ChEMBL | CHEMBL1650243 |
|---|
| DTXSID | DTXSID00171603 |
|---|
Chemical & Physical Properties
| XLogP | 1.3 |
|---|
| Topological polar surface area | 49.9 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 1 |
|---|
| Rotatable bonds | 1 |
|---|
| Heavy atoms | 10 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 123 |
|---|
| Boiling point | 225.0±33.0 °C(Predicted) |
|---|
| Density | 1.07±0.1 g/cm3(Predicted) |
|---|
| pKa (acidity coefficient) | 12.27±0.50(Predicted) |
|---|
| FDA UNII | KM8AA4B4L2 |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|
Safety & Regulations
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P280-P305+P351+P338 |
|---|
