Basic information
- CAS
41457-12-9- Standard SMILES
Cc1cccc(C)c1OCC(O)C[NH+]1C(C)(C)CC1(C)C.[Cl-]- InChIKey
IOAIVQXWYZTQMB-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO2
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 327.1965069
Names & identifiers
- Preferred name
- 1-(2,6-Dimethylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-yl)propan-2-ol--hydrogen chloride (1/1)
- IUPAC
- 1-(2,6-dimethylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-ium-1-yl)propan-2-ol chloride
Names & synonyms
41457-12-9DTXSID909617171-(2,6-Dimethylphenoxy)-3-(2,2,4,4-tetramethylazetidin-1-yl)propan-2-ol--hydrogen chloride (1/1)RefChem:1053861DTXCID2013895361-Azetidineethanol, alpha-((2,6-dimethylphenoxy)methyl)-2,2,4,4-tetramethyl-, hydrochloridealpha-((2,6-Dimethylphenoxy)methyl)-2,2,4,4-tetramethyl-1-azetidineethanol hydrochloride
Database identifiers
- CAS
41457-12-9- PubChem CID
- 38873
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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