Basic information
- CAS
5967-82-8- Standard SMILES
Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCO.NCCO- InChIKey
WVVNRCBCHVYSDW-UHFFFAOYSA-N- Molecular formula
- C11H22N6O4
- Average molar mass
- 302.33 g/mol
- Monoisotopic mass
- 302.1702532
Names & identifiers
- Preferred name
- 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)
- IUPAC
- bis(2-aminoethanol);1,3-dimethyl-7H-purine-2,6-dione
Names & synonyms
5967-82-8DTXSID509750721,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2-aminoethan-1-ol (1/2)RefChem:1052872DTXCID901402482Adisne
Database identifiers
- CAS
5967-82-8- PubChem CID
- 80072
- DTXSID
DTXSID50975072
Properties
Computed structural properties
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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