Basic information
- CAS
60560-32-9- Standard SMILES
CCC(CC)N=C(NC#N)Nc1ccncc1- InChIKey
VGHPQIPBJLTPBL-UHFFFAOYSA-N- Molecular formula
- C12H17N5
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.14839556
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-(3-pentyl)-5-(4-pyridyl)-
- IUPAC
- 1-cyano-2-pentan-3-yl-3-pyridin-4-ylguanidine
- English name
- 2-Cyano-1-(1-ethylpropyl)-3-(4-pyridyl)guanidine
- Molecular formula
- C12H17N5
- Molecular weight
- 231.3
Names & synonyms
2-Cyano-1-(1-ethylpropyl)-3-(4-pyridyl)guanidineBRN 040965960560-32-9GUANIDINE, 2-CYANO-1-(3-PENTYL)-5-(4-PYRIDYL)-Guanidine, 2-cyano-1-(1-ethylpropyl)-3-(4-pyridyl)-DTXSID60209355RefChem:346950DTXCID80131846CHEMBL313080SCHEMBL11165721DB-313877N-Cyano-N''-(pentan-3-yl)-N'-(pyridin-4-yl)guanidine
Show more names
Guanidine, N-cyano-N'-(1-ethylpropyl)-N''-4-pyridinyl-
Database identifiers
- CAS
60560-32-9- PubChem CID
- 43354
- DTXSID
DTXSID60209355- ChEMBL
CHEMBL313080- Nikkaji
- J78.478H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 195 · 195-196 °C(Solv: ethanol (64-17-5))
- Boiling point
- 353.6 · 353.6±34.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 7.36 · 7.36±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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