Basic information
- CAS
5743-22-6- Standard SMILES
Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)c1ccccc1O- InChIKey
SVXXBCDDJXZXOZ-UHFFFAOYSA-N- Molecular formula
- C15H16N4O5
- Average molar mass
- 332.31 g/mol
- Monoisotopic mass
- 332.11206962
Names & identifiers
- Preferred name
- Benzoic acid, 2-hydroxy-, compd. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1)
- IUPAC
- 2-hydroxybenzoic acid;1,3,7-trimethylpurine-2,6-dione
- English name
- caffeine salicylate
- Molecular formula
- C15H16N4O5
- Molecular weight
- 332.32
Names & synonyms
Caffeine salicylate5743-22-6U7R78VQQ6ONSC-144074DTXSID70206017RefChem:1078986DTXCID70128508227-259-4UNII-U7R78VQQ6OcafsaaKoffein SalizylateEINECS 227-259-4
Show more names
2-hydroxybenzoic acid,1,3,7-trimethylpurine-2,6-dione
SCHEMBL667174CAFFEINE, MONOSALICYLATEcaffeine salicylic acid cocrystalSVXXBCDDJXZXOZ-UHFFFAOYSA-NNSC144074NSC 144074NS00082974Q27290798
Database identifiers
- CAS
5743-22-6- PubChem CID
- 64121
- DTXSID
DTXSID70206017- UNII
- U7R78VQQ6O
- EC Number
- 227-259-4
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- FDA UNII
- 7 R78VQQ6O · U7R78VQQ6O
Chemistry & industry
Applications
DescriptionCaffeine Salicylate is the organic salt
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖州浦瑞生物医药技术有限公司+86-0572-2745768 +86-13816075732 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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