2,4-Dihydroxy-3-(morpholin-4-ylmethyl)benzaldehyde
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Basic information
- CAS
917514-52-4- Standard SMILES
O=Cc1ccc(O)c(CN2CCOCC2)c1O- InChIKey
ZKCRXTHOKDPMQE-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 2,4-Dihydroxy-3-(morpholin-4-ylmethyl)benzaldehyde
- IUPAC
- 2,4-dihydroxy-3-(morpholin-4-ylmethyl)benzaldehyde
- English name
- 2,4-Dihydroxy-3-(morpholin-4-ylmethyl)benzaldehyde
- Molecular formula
- C12H15NO4
- Molecular weight
- 237.25
Names & synonyms
2,4-dihydroxy-3-(morpholin-4-ylmethyl)benzaldehyde917514-52-42,4-Dihydroxy-3-(morpholinomethyl)benzaldehydealdehyde derivative, 2dCHEMBL225644BDBM23144BMB91468AKOS015959772Benzaldehyde, 2,4-dihydroxy-3-(4-morpholinylmethyl)-
Database identifiers
- CAS
917514-52-4- PubChem CID
- 24825646
- ChEMBL
CHEMBL225644
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 150 · 150-152 °C(Solv: chloroform (67-66-3); hexane (110-54-3))
- Boiling point
- 442.5 · 442.5±33.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- pka
- 7.5 · 7.50±0.48(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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