2,4,6-Tris(morpholin-4-ylmethyl)benzene-1,3-diol
Basic information
- CAS
23409-80-5- Standard SMILES
Oc1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1CN1CCOCC1- InChIKey
MNKGHMTYKRGTBW-UHFFFAOYSA-N- Molecular formula
- C21H33N3O5
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.24202116
Names & identifiers
- Preferred name
- 2,4,6-Tris(morpholin-4-ylmethyl)benzene-1,3-diol
- IUPAC
- 2,4,6-tris(morpholin-4-ylmethyl)benzene-1,3-diol
Names & synonyms
23409-80-5MLS0026081461,3-Benzenediol, 2,4,6-tris(4-morpholinylmethyl)-2,4,6-tris(morpholin-4-ylmethyl)benzene-1,3-diolNSC392052,4,6-Tris(morpholinomethyl)benzene-1,3-diolCHEMBL1725539SCHEMBL17275922DTXSID00284828HMS3078P06NSC-39205SMR001526897
Show more names
2,4,6-Tris[(morpholin-4-yl)methyl]benzene-1,3-diol
Database identifiers
- CAS
23409-80-5- PubChem CID
- 236589
- DTXSID
DTXSID00284828- ChEMBL
CHEMBL1725539
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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