Basic information
- CAS
60560-07-8- Standard SMILES
CC(N=C(NC#N)Nc1cccnc1)C(C)(C)C- InChIKey
YJCUMRGFIIKHFP-UHFFFAOYSA-N- Molecular formula
- C13H19N5
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.16404563
Overview
RN refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 3-Pyridyl pinacidil
- IUPAC
- 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-3-ylguanidine
- English name
- 3-pyridyl pinacidil
- Molecular formula
- C13H19N5
- Molecular weight
- 245.32
Names & synonyms
3-Pyridyl pinacidil60560-07-8RefChem:95411N''-cyano-N-3-pyridyl-N'-1,2,2-trimethylpropylguanidine2-Cyano-3-(3-pyridyl)-1-(1,2,2-trimethylpropyl)guanidine1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-3-ylguanidineCHEMBL75172SCHEMBL9456838SCHEMBL9456841DTXSID10975992GUANIDINE, 2-CYANO-3-(3-PYRIDYL)-1-(1,2,2-TRIMETHYLPROPYL)-N''-Cyano-N-(3,3-dimethylbutan-2-yl)-N'-(pyridin-3-yl)guanidine
Show more names
Pinacidil Impurity 3Guanidine, N-cyano-N'-3-pyridinyl-N''-(1,2,2-trimethylpropyl)-
N''-Cyano-N-(3,3-dimethylbutan-2-yl)-N'-pyridin-3-ylguanidine
Database identifiers
- CAS
60560-07-8- PubChem CID
- 43347
- DTXSID
DTXSID10975992- ChEMBL
CHEMBL75172
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 167 · 167-168 °C
- Boiling point
- 356.7 · 356.7±34.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 4.95 · 4.95±0.12(Predicted)
Chemistry & industry
Suppliers1 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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