Basic information
- CAS
67026-87-3- Standard SMILES
CC(C)(C)NC(=NCc1ccccn1)NC#N- InChIKey
DNGVGYXCGZEIMB-UHFFFAOYSA-N- Molecular formula
- C12H17N5
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.14839556
Names & identifiers
- Preferred name
- Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridylmethyl)-
- IUPAC
- 1-tert-butyl-3-cyano-2-(pyridin-2-ylmethyl)guanidine
- English name
- 1-tert-Butyl-2-cyano-3-(2-pyridylmethyl)guanidine
- Molecular weight
- 0
Names & synonyms
67026-87-3BRN 0406659GUANIDINE, 1-tert-BUTYL-2-CYANO-3-(2-PYRIDYLMETHYL)-1-tert-Butyl-2-cyano-3-(2-pyridylmethyl)guanidineDTXSID30217280RefChem:346919DTXCID30139771SCHEMBL9378441SCHEMBL9379397CHEMBL3278389N-tert-Butyl-N'-cyano-N''-[(pyridin-2-yl)methyl]guanidine
Database identifiers
- CAS
67026-87-3- PubChem CID
- 48885
- DTXSID
DTXSID30217280- ChEMBL
CHEMBL3278389- Nikkaji
- J78.438I
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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