3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzonitrile; ethanesulfonic acid

Modify Date: 2024-01-02 18:18:17

3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzonitrile; ethanesulfonic acid Structure
3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzonitrile; ethanesulfonic acid structure
Common Name 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzonitrile; ethanesulfonic acid
CAS Number 50508-22-0 Molecular Weight 492.97900
Density N/A Boiling Point 593.4ºC at 760 mmHg
Molecular Formula C21H25ClN6O4S Melting Point N/A
MSDS N/A Flash Point 312.7ºC

 Names

Name 3-((2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)methyl)benzonitrile ethanesulfonate

 Chemical & Physical Properties

Boiling Point 593.4ºC at 760 mmHg
Molecular Formula C21H25ClN6O4S
Molecular Weight 492.97900
Flash Point 312.7ºC
Exact Mass 492.13500
PSA 175.77000
LogP 4.28788
InChIKey ZSPHUZOOAAUCAL-UHFFFAOYSA-N
SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2cccc(C#N)c2)c(Cl)c1.CCS(=O)(=O)O
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