Theacrine
Properties
- Molecular formula
- C9H12N4O3
- Molar mass
- 224.22 g/mol
- Exact mass
- 224.0909 Da
- Melting point
- 226 °C
- logP
- -1.73Crippen estimate
- Polar surface area
- 70.9 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2309-49-1SMILES
Cn1c(=O)c2c(n(C)c1=O)n(C)c(=O)n2CInChIKey
QGDOQULISIQFHQ-UHFFFAOYSA-NInChI
InChI=1S/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7,9-tetramethyl-
- Uric acid, 1,3,7,9-tetramethyl-
- 7,9-Dihydro-1,3,7,9-tetramethyl-1H-purine-2,6,8(3H)-trione
- Tetramethyluric acid
- Temorine
- Ba 2750
- 1,3,7,9-Tetramethyluric acid
- Temurin
- NSC 8809
- TeaCrine
- 1,3,7,9-Tetramethylpurine-2,6,8-trione
Work with Theacrine
Similar compounds
3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione832-66-653 % similar
Caffeine58-08-252 % similar
Caffeine monohydrate5743-12-447 % similar
5,6-Diamino-1,3-dimethyluracil5440-00-645 % similar
Theophylline58-55-943 % similar
8-Chlorotheophylline85-18-742 % similar
1,3-Dimethyluric acid944-73-041 % similar
Proxyphylline603-00-940 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.