1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide
Basic information
- CAS
77381-15-8- Standard SMILES
CC(C)(C)N=C(CCC(C#N)(C#N)CCC(=NC(C)(C)C)Nc1ccccc1C#N)Nc1ccccc1C#N- InChIKey
OHLIEKUTHOAYHK-UHFFFAOYSA-N- Molecular formula
- C31H36N8
- Average molar mass
- 520.7 g/mol
- Monoisotopic mass
- 520.30629318
Names & identifiers
- Preferred name
- 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide
- IUPAC
- 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamide
Names & synonyms
77381-15-8NSC3201511-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(2-cyanophenyl)heptanediimidamideDTXSID60317747NSC-320151(1E,7E)-N'~1~,N'~7~-Di-tert-butyl-4,4-dicyano-N'~1~,N'~7~-bis(2-cyanophenyl)heptanediimidamide
Database identifiers
- CAS
77381-15-8- PubChem CID
- 330770
- DTXSID
DTXSID60317747
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 993
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…