Basic information
- CAS
60560-39-6- Standard SMILES
CC(C)(C)CN=C(NC#N)Nc1ccncc1- InChIKey
ROBGTOPHXVNLTK-UHFFFAOYSA-N- Molecular formula
- C12H17N5
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.14839556
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-neopentyl-3-(4-pyridyl)-
- IUPAC
- 1-cyano-2-(2,2-dimethylpropyl)-3-pyridin-4-ylguanidine
- English name
- 2-Cyano-1-neopentyl-3-(4-pyridyl)guanidine
- Molecular formula
- C12H17N5
- Molecular weight
- 231.3
Names & synonyms
60560-39-62-Cyano-1-neopentyl-3-(4-pyridyl)guanidineBRN 0405037Guanidine, 2-cyano-1-neopentyl-3-(4-pyridyl)-DTXSID00209359RefChem:346969DTXCID70131850CHEMBL86434SCHEMBL11164311SCHEMBL11164314DB-313881N-Cyano-N''-(2,2-dimethylpropyl)-N'-(pyridin-4-yl)guanidine
Show more names
Pinacidil Impurity 7Guanidine, N-cyano-N'-(2,2-dimethylpropyl)-N''-4-pyridinyl-
Database identifiers
- CAS
60560-39-6- PubChem CID
- 3042811
- DTXSID
DTXSID00209359- ChEMBL
CHEMBL86434- Nikkaji
- J78.474E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 190 · 190-193 °C
- Boiling point
- 347.6 · 347.6±34.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 7.36 · 7.36±0.10(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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