Benzenepentanenitrile, a-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-
Basic information
- CAS
47587-62-2- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(C(C#N)CCCc2ccccc2)cc1- InChIKey
NORDHUOLOBRMOI-UHFFFAOYSA-N- Molecular formula
- C22H26N6
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.22189485
Names & identifiers
- Preferred name
- Benzenepentanenitrile, a-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-
- IUPAC
- 2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-5-phenylpentanenitrile
Names & synonyms
47587-62-2NSC 211327NSC211327Benzenepentanenitrile, a-(4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-Benzenepentanenitrile, a-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-DTXSID509638782-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-5-phenyl-pentanenitrile2-[4-(4,6-Diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)phenyl]-5-phenylpentanenitrile
Database identifiers
- CAS
47587-62-2- PubChem CID
- 309155
- DTXSID
DTXSID50963878- Nikkaji
- J419.884K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 629
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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