Basic information
- Standard SMILES
CC(C)NC(=N)NC(=N)NCc1ccc(C(F)(F)F)cc1.Cl.Cl- InChIKey
ZSNMZDXVTUDWNY-UHFFFAOYSA-N- Molecular formula
- C13H20Cl2F3N5
- Average molar mass
- 374.2 g/mol
- Monoisotopic mass
- 373.1047855
Names & identifiers
- Preferred name
- 1-(p-Trifluoromethylbenzyl)-5-i-propylbiguanide dihydrochloride
- IUPAC
- 1-(N'-propan-2-ylcarbamimidoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine;dihydrochloride
Names & synonyms
1-(p-trifluoromethylbenzyl)-5-i-propylbiguanide dihydrochlorideSCHEMBL11808327
Database identifiers
- PubChem CID
- 21492952
Properties
Computed structural properties
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
Related reactions
1 records
Compound notes
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