Basic information
- CAS
41457-11-8- Standard SMILES
Cc1ccccc1OCC(O)C[NH+]1C(C)(C)CC1(C)C.[Cl-]- InChIKey
IEPDOCKKWQIIMZ-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO2
- Average molar mass
- 313.9 g/mol
- Monoisotopic mass
- 313.1808568
Names & identifiers
- Preferred name
- 1-(2-Methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-yl)propan-2-ol--hydrogen chloride (1/1)
- IUPAC
- 1-(2-methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride
Names & synonyms
41457-11-8DTXSID309617161-(2-Methylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-yl)propan-2-ol--hydrogen chloride (1/1)RefChem:1054017DTXCID5013895351-Azetidineethanol, alpha-((2-methylphenoxy)methyl)-2,2,4,4-tetramethyl-, hydrochloride1-Azetidineethanol, 2,2,4,4-tetramethyl-alpha-((o-tolyloxy)methyl)-, hydrochloridealpha-((2-Methylphenoxy)methyl)-2,2,4,4-tetramethyl-1-azetidineethanol hydrochloride
Database identifiers
- CAS
41457-11-8- PubChem CID
- 38871
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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