Basic information
- CAS
105949-65-3- Standard SMILES
Clc1ccc(N=NN2CN3CN(C2)CN(N=Nc2ccc(Cl)cc2)C3)cc1- InChIKey
ZYYXLWWBIJRQEY-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2N8
- Average molar mass
- 405.3 g/mol
- Monoisotopic mass
- 404.103148
Names & identifiers
- Preferred name
- 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-bis[(4-chlorophenyl)azo]-
- IUPAC
- (4-chlorophenyl)-[7-[(4-chlorophenyl)diazenyl]-1,3,5,7-tetrazabicyclo[3.3.1]nonan-3-yl]diazene
Names & synonyms
1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-bis[(4-chlorophenyl)azo]-NSC609547105949-65-3DTXSID00326691NSC-6095473,7-Bis(E)[(4-chlorophenyl)diazenyl]-1,3,5,7-tetraazabicyclo[3.3.1]nonane
Database identifiers
- CAS
105949-65-3- PubChem CID
- 355606
- DTXSID
DTXSID00326691
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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