1-(3-Chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;ethanesulfonic acid
Basic information
- CAS
50508-20-8- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)c(Cl)c1.CCS(=O)(=O)O- InChIKey
CGFQDDJPHXAGNZ-UHFFFAOYSA-N- Molecular formula
- C20H26ClN5O4S
- Average molar mass
- 468 g/mol
- Monoisotopic mass
- 467.1394032
Names & identifiers
- Preferred name
- 1-(3-Chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;ethanesulfonic acid
- IUPAC
- 1-(3-chloro-4-phenylmethoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;ethanesulfonic acid
Names & synonyms
50508-20-8NSC140384DTXSID10301015NSC-140384DS-0080171-(3-chloro-4-phenylmethoxy-phenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamineEthanesulfonic acid--1-[4-(benzyloxy)-3-chlorophenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine (1/1)
Database identifiers
- CAS
50508-20-8- PubChem CID
- 284544
- DTXSID
DTXSID10301015
Properties
Computed structural properties
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 635
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