1-Phenoxy-3-(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-yl)propan-2-ol--hydrogen chloride (1/1)
Basic information
- CAS
41457-01-6- Standard SMILES
CC1(C)C=CC(C)(C)N1CC(O)COc1ccccc1.Cl- InChIKey
PNBQBOGYFSIOAG-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- 1-Phenoxy-3-(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-yl)propan-2-ol--hydrogen chloride (1/1)
- IUPAC
- 1-phenoxy-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol;hydrochloride
Names & synonyms
41457-01-6DTXSID309617111-Phenoxy-3-(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-yl)propan-2-ol--hydrogen chloride (1/1)RefChem:1056272DTXCID0013895302,5-Dihydro-alpha-(phenoxymethyl)-2,2,5,5-tetramethyl-1H-pyrrole-1-ethanol hydrochloride1H-Pyrrole-1-ethanol, 2,5-dihydro-alpha-(phenoxymethyl)-2,2,5,5-tetramethyl-, hydrochloride
Database identifiers
- CAS
41457-01-6- PubChem CID
- 218982
- DTXSID
DTXSID30961711
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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