Basic information
- CAS
3569-85-5- Standard SMILES
CCN(CC)CCNc1ccc(C)c2c1C(O)c1ccccc1O2- InChIKey
HJUCSLDGPDCHNB-UHFFFAOYSA-N- Molecular formula
- C20H26N2O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.19942807
Names & identifiers
- Preferred name
- 9H-Xanthen-9-ol, 1-((2-(diethylamino)ethyl)amino)-4-methyl-
- IUPAC
- 1-[2-(diethylamino)ethylamino]-4-methyl-9H-xanthen-9-ol
Names & synonyms
3569-85-5Miracil C9H-Xanthen-9-ol, 1-((2-(diethylamino)ethyl)amino)-4-methyl-DTXSID209570821-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-xanthen-9-ol
Database identifiers
- CAS
3569-85-5- PubChem CID
- 192783
- DTXSID
DTXSID20957082
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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