4-(Morpholin-4-ium-4-ylmethyl)-2,6-di(propan-2-yl)phenol
Basic information
- CAS
6697-40-1- Standard SMILES
CC(C)c1cc(C[NH+]2CCOCC2)cc(C(C)C)c1O- InChIKey
NNRAQSNXAOYDHG-UHFFFAOYSA-O- Molecular formula
- C17H28NO2+
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.21200414
Names & identifiers
- Preferred name
- 4-(Morpholin-4-ium-4-ylmethyl)-2,6-di(propan-2-yl)phenol
- IUPAC
- 4-(morpholin-4-ium-4-ylmethyl)-2,6-di(propan-2-yl)phenol
Names & synonyms
6697-40-14-(morpholin-4-ium-4-ylmethyl)-2,6-di(propan-2-yl)phenolDTXSID604101614-{[4-Hydroxy-3,5-di(propan-2-yl)phenyl]methyl}morpholin-4-ium
Database identifiers
- CAS
6697-40-1- PubChem CID
- 5209965
- DTXSID
DTXSID60410161
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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