Basic information
- CAS
3786-23-0- Standard SMILES
N#CCCN(CCC#N)c1nc(-c2ccccc2)nc(N(CCC#N)CCC#N)n1- InChIKey
XQMJOYICGAWAAN-UHFFFAOYSA-N- Molecular formula
- C21H21N9
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.19199171
Names & identifiers
- Preferred name
- 3,3',3'',3'''-[(6-Phenyl-1,3,5-triazine-2,4-diyl)dinitrilo]tetrapropanenitrile
- IUPAC
- 3-[[4-[bis(2-cyanoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]-(2-cyanoethyl)amino]propanenitrile
- English name
- 3,3',3'',3'''-(6-Phenyl-1,3,5-triazine-2,4-diyldinitrilo)tetrakis(propanenitrile)
- Molecular formula
- C21H21N9
- Molecular weight
- 399.45
Names & synonyms
3786-23-0WLN: T6N CN ENJ BN2CN&2CN DR& FN2CN&2CNNSC407912SCHEMBL31379937DTXSID20274640NSC-407912s-Triazine,4-bis[bis(2-cyanoethyl)amino]-6-phenyl-3,3',3'',3'''-(6-Phenyl-1,3,5-triazine-2,4-diyldinitrilo)tetrakis(propanenitrile)3,3',3'',3'''-[(6-Phenyl-1,3,5-triazine-2,4-diyl)dinitrilo]tetrapropanenitrilePropionitrile,3',3'',3'''-[(6-phenyl-s-triazine-2,4-diyl)dinitrilo]tetra-Propanenitrile, 3,3',3'',3'''-[(6-phenyl-1,3,5-triazine-2,4-diyl)dinitrilo]tetrakis- (9CI)
Database identifiers
- CAS
3786-23-0- PubChem CID
- 19620
- DTXSID
DTXSID20274640- Nikkaji
- J127.526G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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