Basic information
- CAS
60560-12-5- Standard SMILES
CC(C)(C)N=C(NC#N)Nc1ccccn1- InChIKey
WMBJNBSNCYQXKN-UHFFFAOYSA-N- Molecular formula
- C11H15N5
- Average molar mass
- 217.27 g/mol
- Monoisotopic mass
- 217.1327455
Names & identifiers
- Preferred name
- Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridyl)-
- IUPAC
- 2-tert-butyl-1-cyano-3-pyridin-2-ylguanidine
- English name
- 1-tert-Butyl-2-cyano-3-(2-pyridyl)guanidine
- Molecular formula
- C11H15N5
- Molecular weight
- 217.27
Names & synonyms
60560-12-51-tert-Butyl-2-cyano-3-(2-pyridyl)guanidineBRN 0400955GUANIDINE, 1-tert-BUTYL-2-CYANO-3-(2-PYRIDYL)-DTXSID50209344RefChem:346917DTXCID70131835CHEMBL86714SCHEMBL11153086SCHEMBL11153088DB-312374N''-tert-Butyl-N-cyano-N'-(pyridin-2-yl)guanidine
Show more names
Guanidine, N-cyano-N'-(1,1-dimethylethyl)-N''-2-pyridinyl-
Database identifiers
- CAS
60560-12-5- PubChem CID
- 43350
- DTXSID
DTXSID50209344- ChEMBL
CHEMBL86714- Nikkaji
- J78.435D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Melting point
- 167 · 167-168 °C(Solv: acetone (67-64-1); water (7732-18-5))
- Boiling point
- 332.8 · 332.8±34.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 3.42 · 3.42±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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