Basic information
- CAS
67026-56-6- Standard SMILES
CC(N=C(NC#N)Nc1ccncc1)c1ccccc1- InChIKey
VBLIIDRTXNNNRX-UHFFFAOYSA-N- Molecular formula
- C15H15N5
- Average molar mass
- 265.31 g/mol
- Monoisotopic mass
- 265.1327455
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-alpha-phenethyl-3-(4-pyridyl)-
- IUPAC
- 1-cyano-2-(1-phenylethyl)-3-pyridin-4-ylguanidine
- English name
- 2-Cyano-1-phenethyl-3-(4-pyridyl)guanidine
- Molecular formula
- C15H15N5
- Molecular weight
- 265.31
Names & synonyms
67026-56-6GUANIDINE, 2-CYANO-1-alpha-PHENETHYL-3-(4-PYRIDYL)-RefChem:1086253BRN 0423816Guanidine, 2-cyano-1-(alpha-methylbenzyl)-3-(4-pyridyl)-2-Cyano-1-alpha-phenethyl-3-(4-pyridyl)guanidineCHEMBL315457DTXSID30985891Guanidine, N-cyano-N'-(1-phenylethyl)-N''-4-pyridinyl-N''-Cyano-N-(1-phenylethyl)-N'-(pyridin-4(1H)-ylidene)guanidineN''-Cyano-N-(1-phenylethyl)-N'-pyridin-4(1H)-ylideneguanidine2-Cyano-1-phenethyl-3-(4-pyridyl)guanidine
Database identifiers
- CAS
67026-56-6- PubChem CID
- 48875
- DTXSID
DTXSID30985891- ChEMBL
CHEMBL315457
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 187 · 187-188 °C
- Boiling point
- 423.92 · 423.920±47.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.144 · 1.144±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.326 · 6.326±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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