1,3-Diphenylguanidinium phthalate
Basic information
- CAS
118-99-0- Standard SMILES
NC(=Nc1ccccc1)Nc1ccccc1.NC(=Nc1ccccc1)Nc1ccccc1.O=C(O)c1ccccc1C(=O)O- InChIKey
KFXKTRNHRONVKY-UHFFFAOYSA-N- Molecular formula
- C34H32N6O4
- Average molar mass
- 588.7 g/mol
- Monoisotopic mass
- 588.24850352
Names & identifiers
- Preferred name
- 1,3-Diphenylguanidinium phthalate
- IUPAC
- bis(1,2-diphenylguanidine);phthalic acid
Names & synonyms
1,3-Diphenylguanidinium phthalate118-99-0EINECS 204-291-7DTXSID30922589AKOS024430244Benzene-1,2-dicarboxylic acid--N,N'-diphenylguanidine (1/2)
Database identifiers
- CAS
118-99-0- PubChem CID
- 67107
- DTXSID
DTXSID30922589- EC Number
- 204-291-7
Properties
Computed structural properties
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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