| SpectraBase Spectrum ID |
39fTuWeezdE |
| Name |
8-Aminocaffeine |
| Alternate Name(s) |
8-amino-1,3,7-trimethyl-purine-2,6-dione
8-amino-1,3,7-trimethyl-xanthine
8-azanyl-1,3,7-trimethyl-purine-2,6-dione |
| CAS Registry Number |
37789-28-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H11N5O2 |
| InChI |
InChI=1S/C8H11N5O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3,(H2,9,10) |
| InChIKey |
PQEIUJGJYPUELF-UHFFFAOYSA-N |
| Molecular Weight |
209.209 g/mol |
| SMILES |
Nc1nc2c(C(=O)N(C(N2C)=O)C)[n]1C |
| SPLASH |
splash10-053r-9070000000-60a6dbfe7ccdf4d882f4 |
| Source of Spectrum |
Y-32-945-15 |
| Wiley ID |
1207883 |
