Basic information
- CAS
25709-42-6- Standard SMILES
NC(=NCc1ccccc1)NCc1ccccc1- InChIKey
VEGSEUJMFASKPM-UHFFFAOYSA-N- Molecular formula
- C15H17N3
- Average molar mass
- 239.32 g/mol
- Monoisotopic mass
- 239.14224756
Names & identifiers
- Preferred name
- 1,2-Dibenzylguanidine
- IUPAC
- 1,2-dibenzylguanidine
- English name
- 1,3-Dibenzylguanidine
- Molecular formula
- C15H17N3
- Molecular weight
- 239.32
Names & synonyms
1,2-dibenzylguanidineCHEMBL8343025709-42-6CHEMBL539782n,n'-dibenzylguanidineSCHEMBL1273847SCHEMBL1275831SCHEMBL1791607SCHEMBL1795835N,N''-DIBENZYLGUANIDINEDTXSID70275021BDBM50010774
Show more names
1,3-DibenzylguanidineGuanidine, N,N'-bis(phenylmethyl)-
N,N''-Dibenzyl-guanidine; hydrobromide
Database identifiers
- CAS
25709-42-6- PubChem CID
- 33142
- DTXSID
DTXSID70275021- ChEMBL
CHEMBL539782、CHEMBL83430- Nikkaji
- J88.375A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 176 · 176-178 °C
- Boiling point
- 379.8 · 379.8±45.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 13.69 · 13.69±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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