Basic information
- CAS
27866-09-7- Standard SMILES
CC1(C)CCC(C)(C)N1CC(O)COCC12CC3CC(CC(C3)C1)C2.Cl- InChIKey
IFTCQJZFQDTOAQ-UHFFFAOYSA-N- Molecular formula
- C22H40ClNO2
- Average molar mass
- 386 g/mol
- Monoisotopic mass
- 385.2747572
Names & identifiers
- Preferred name
- 1-Pyrrolidineethanol, alpha-(1-adamantylmethoxymethyl)-2,2,5,5-tetramethyl-, hydrochloride
- IUPAC
- 1-(1-adamantylmethoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;hydrochloride
Names & synonyms
27866-09-71-Pyrrolidineethanol, alpha-(1-adamantylmethoxymethyl)-2,2,5,5-tetramethyl-, hydrochloride1-(Adamant-1-il-metossi)-3-(2,2,5,5-tetrametilpirrolidin-1-il)-propan-2-olo cloridrato2-Propanol, 1-(1-adamantylmethoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)-, hydrochloride1-Pyrrolidineethano, 2,2,5,5-tetramethyl-alpha-((tricyclo(3.3.1.13,7)dec-1-ylmethoxy)-, hydrochlorideRefChem:235252DTXSID109505421-[(Adamantan-1-yl)methoxy]-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
27866-09-7- PubChem CID
- 64258
- DTXSID
DTXSID10950542
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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