Basic information
- CAS
27865-94-7- Standard SMILES
CC1(C)C=CCC(C)(C)N1CC(O)COCC12CC3CC(CC(C3)C1)C2.Cl- InChIKey
MLNILFKUHCWNAF-UHFFFAOYSA-N- Molecular formula
- C23H40ClNO2
- Average molar mass
- 398 g/mol
- Monoisotopic mass
- 397.2747572
Names & identifiers
- Preferred name
- 1-Pyridineethanol, 1,2,5,6-tetrahydro-alpha-(1-adamantylmethoxymethyl)-2,2,6,6-tetramethyl-, hydrochloride
- IUPAC
- 1-(1-adamantylmethoxy)-3-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)propan-2-ol;hydrochloride
Names & synonyms
27865-94-71-Pyridineethanol, 1,2,5,6-tetrahydro-alpha-(1-adamantylmethoxymethyl)-2,2,6,6-tetramethyl-, hydrochloride1,2,5,6-Tetramethyl-alpha-(1-adamantylmethoxymethyl)-2,2,6,6-tetrahydro-1-pyridineethanol HCl1(2H)-Pyridineethanol, alpha-((1-adamantylmethoxy)methyl)-3,6-dihydro-2,2,6,6-tetramethyl-, hydrochloride1(2H)-Pyridineethanol, alpha-(1-adamantylmethoxymethyl)-3,6-dihydro-2,2,6,6-tetramethyl-, hydrochlorideRefChem:235131DTXSID809505391-[(Adamantan-1-yl)methoxy]-3-(2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2H)-yl)propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
27865-94-7- PubChem CID
- 64254
- DTXSID
DTXSID80950539
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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