Caffeine,8,8'-(ethylenedinitrosimino)di- (7CI,8CI)

Modify Date: 2024-04-08 23:13:39

Caffeine,8,8'-(ethylenedinitrosimino)di- (7CI,8CI) Structure
Caffeine,8,8'-(ethylenedinitrosimino)di- (7CI,8CI) structure
Common Name Caffeine,8,8'-(ethylenedinitrosimino)di- (7CI,8CI)
CAS Number 6335-98-4 Molecular Weight 502.44400
Density 1.72g/cm3 Boiling Point 742.7ºC at 760mmHg
Molecular Formula C18H22N12O6 Melting Point N/A
MSDS N/A Flash Point 403ºC

 Names

Name N-[2-[nitroso-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl]-N-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)nitrous amide

 Chemical & Physical Properties

Density 1.72g/cm3
Boiling Point 742.7ºC at 760mmHg
Molecular Formula C18H22N12O6
Molecular Weight 502.44400
Flash Point 403ºC
Exact Mass 502.17900
PSA 188.98000
Index of Refraction 1.787
InChIKey NRJORFWPGOBMIG-UHFFFAOYSA-N
SMILES Cn1c(=O)c2c(nc(N(CCN(N=O)c3nc4c(c(=O)n(C)c(=O)n4C)n3C)N=O)n2C)n(C)c1=O
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