Basic information
- CAS
23793-81-9- Standard SMILES
Cc1cccc(C)c1OCC(O)CN1C(C)(C)C=CCC1(C)C.Cl- InChIKey
HKXGMIWDIQPEOD-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO2
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.212157
Names & identifiers
- Preferred name
- 1(2H)-Pyridineethanol, 3,6-dihydro-alpha-((2,6-dimethylphenoxy)methyl)-2,2,6,6-tetramethyl-, hydrochloride
- IUPAC
- 1-(2,6-dimethylphenoxy)-3-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)propan-2-ol;hydrochloride
Names & synonyms
23793-81-91(2H)-Pyridineethanol, 3,6-dihydro-alpha-((2,6-dimethylphenoxy)methyl)-2,2,6,6-tetramethyl-, hydrochlorideRefChem:10514292-Propanol, 1-(2,6-dimethylphenoxy)-3-(2,2,6,6-tetramethyl-1(2H)-pyridinyl)-, hydrochloridealpha-((2,6-Dimethylphenoxy)methyl)-2,2,6,6-tetramethyl-3,6-dihydro-1(2H)-pyridineethanol HClDTXSID409465941-(2,6-Dimethylphenoxy)-3-(2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
23793-81-9- PubChem CID
- 211990
- DTXSID
DTXSID40946594
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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