2-(3-(4,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-5-phenylpentanenitrile, ethanesulfonic acid
Basic information
- CAS
19159-99-0- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1cccc(C(C#N)CCCc2ccccc2)c1.CCS(=O)(=O)O- InChIKey
HUEJHFZTMBHNNA-UHFFFAOYSA-N- Molecular formula
- C24H32N6O3S
- Average molar mass
- 484.6 g/mol
- Monoisotopic mass
- 484.22566008
Names & identifiers
- Preferred name
- 2-(3-(4,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-5-phenylpentanenitrile, ethanesulfonic acid
- IUPAC
- 2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-5-phenylpentanenitrile;ethanesulfonic acid
Names & synonyms
19159-99-0NSC211324DTXSID20309204NSC-2113242-(3-(4,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)-5-phenylpentanenitrile, ethanesulfonic acidEthanesulfonic acid--2-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-5-phenylpentanenitrile (1/1)
Database identifiers
- CAS
19159-99-0- PubChem CID
- 309150
- DTXSID
DTXSID20309204
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 742
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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