Basic information
- CAS
41456-90-0- Standard SMILES
Cc1cccc(C)c1OCC(O)CN1C(C)(C)CCC1(C)C.Cl- InChIKey
WAPVBJRZHGLIHU-UHFFFAOYSA-N- Molecular formula
- C19H32ClNO2
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.212157
Names & identifiers
- Preferred name
- 1-Pyrrolidineethanol, alpha-((2,6-dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochloride
- IUPAC
- 1-(2,6-dimethylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;hydrochloride
Names & synonyms
41456-90-01-Pyrrolidineethanol, alpha-((2,6-dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochlorideRefChem:1057088alpha-((2,6-Dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-1-pyrrolidineethanol hydrochlorideDTXSID409617071-(2,6-Dimethylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
41456-90-0- PubChem CID
- 218975
- DTXSID
DTXSID40961707
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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