Basic information
- CAS
67026-34-0- Standard SMILES
CC(C)N=C(NC#N)Nc1cccnc1- InChIKey
CLHNOAUGSNXENE-UHFFFAOYSA-N- Molecular formula
- C10H13N5
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.11709544
Names & identifiers
- Preferred name
- N''-Cyano-N-propan-2-yl-N'-pyridin-3-ylguanidine
- IUPAC
- 1-cyano-2-propan-2-yl-3-pyridin-3-ylguanidine
- English name
- N''''-cyano-N''-(propan-2-yl)-N-(pyridin-3-yl)guanidine
- Molecular formula
- C10H13N5
- Molecular weight
- 203.24
Names & synonyms
67026-34-0DTXSID40985882N''-Cyano-N-propan-2-yl-N'-pyridin-3-ylguanidineRefChem:1090106DTXCID001413072N''-cyano-N'-(propan-2-yl)-N-(pyridin-3-yl)guanidineGuanidine, N-cyano-N'-(1-methylethyl)-N''-3-pyridinyl-1-cyano-2-propan-2-yl-3-pyridin-3-ylguanidineBRN 0479297Guanidine, 2-cyano-1-isopropyl-3-(3-pyridyl)-CHEMBL87201N-Cyano-N'-(1-methylethyl)-N''-3-pyridinylguanidine
Show more names
N-CYANO-N'-(1-METHYLETHYL)-N'-PYRIDIN-3-YLGUANIDINEN''''-cyano-N''-(propan-2-yl)-N-(pyridin-3-yl)guanidine
SCHEMBL11165563SCHEMBL11165566CLHNOAUGSNXENE-UHFFFAOYSA-NSCA02634AKOS027218328N"-cyano-N-isopropyl-N'-3-pyridylguanidineEN300-2571452-cyano-1-(propan-2-yl)-3-(pyridin-3-yl)guanidine
Database identifiers
- CAS
67026-34-0- PubChem CID
- 3050751
- DTXSID
DTXSID40985882- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 324.5 · 324.5±34.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 4.95 · 4.95±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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