Basic information
- CAS
36855-54-6- Standard SMILES
Cc1cc(C)c(C)c(C(=O)n2cnc3c(N)ncnc32)c1C- InChIKey
XJHVHCIMHGZYCX-UHFFFAOYSA-N- Molecular formula
- C16H17N5O
- Average molar mass
- 295.34 g/mol
- Monoisotopic mass
- 295.14331018
Names & identifiers
- Preferred name
- 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-
- IUPAC
- (6-aminopurin-9-yl)-(2,3,5,6-tetramethylphenyl)methanone
- English name
- 9H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-
- Molecular formula
- C16H17N5O
- Molecular weight
- 295.34
Names & synonyms
36855-54-69H-Purin-6-amine, 9-(2,3,5,6-tetramethylbenzoyl)-BRN 12244389-(2,3,5,6-Tetramethylbenzoyl)adenine9-(2,3,5,6-Tetramethylbenzoyl)-9H-purin-6-amineDTXSID20190331RefChem:313548DTXCID30112822(6-amino-9h-purin-9-yl)(2,3,5,6-tetramethylphenyl)methanoneMethanone, (6-amino-9H-purin-9-yl)(2,3,5,6-tetramethylphenyl)-
Database identifiers
- CAS
36855-54-6- PubChem CID
- 215943
- DTXSID
DTXSID20190331
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…