Basic information
- CAS
94523-37-2- Standard SMILES
Cn1c(=O)c2c(nc(N(CCO)CCO)n2C)n(C)c1=O- InChIKey
MDBADRPVSIUQBL-UHFFFAOYSA-N- Molecular formula
- C12H19N5O4
- Average molar mass
- 297.31 g/mol
- Monoisotopic mass
- 297.1437041
Names & identifiers
- Preferred name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(bis(2-hydroxyethyl)amino)-1,3,7-trimethyl-
- IUPAC
- 8-[bis(2-hydroxyethyl)amino]-1,3,7-trimethylpurine-2,6-dione
- English name
- 1H-Purine-2,6-dione, 3,7-dihydro-8-(bis(2-hydroxyethyl)amino)-1,3,7-tr imethyl-
- Molecular formula
- C12H19N5O4
- Molecular weight
- 297.31
Names & synonyms
94523-37-2BRN 10266361H-Purine-2,6-dione, 3,7-dihydro-8-(bis(2-hydroxyethyl)amino)-1,3,7-trimethyl-8-(Bis(2-hydroxyethyl)amino)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dioneDTXSID002415175-26-18-00309 (Beilstein Handbook Reference)NSC 671718-[bis(2-hydroxyethyl)amino]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dioneRefChem:239656DTXCID30164008NSC67171NCIOpen2_002994
Show more names
8-(2,2-dihydroxyethylamino)caffeine1H-Purine-2,6-dione, 8-[bis(2-hydroxyethyl)amino]-3,7-dihydro-1,3,7-trimethyl-1H-Purine-2,6-dione, 3,7-dihydro-8-(bis(2-hydroxyethyl)amino)-1,3,7-tr imethyl-
NSC-67171DS-009249
Database identifiers
- CAS
94523-37-2
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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