Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester)
Basic information
- CAS
66941-43-3- Standard SMILES
CC[N+](CC)(CC)CC(C)(C)COC(=O)C(CO)c1ccccc1.[Br-]- InChIKey
YJYXVCUHDCIEQL-UHFFFAOYSA-M- Molecular formula
- C20H34BrNO3
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 415.17221
Names & identifiers
- Preferred name
- Ammonium, (2,2-dimethyl-3-hydroxypropyl)triethyl-, bromide, tropate (ester)
- IUPAC
- triethyl-[3-(3-hydroxy-2-phenylpropanoyl)oxy-2,2-dimethylpropyl]azanium bromide
Names & synonyms
66941-43-3AMMONIUM, (2,2-DIMETHYL-3-HYDROXYPROPYL)TRIETHYL-, BROMIDE, TROPATE (ester)Tropasaeureester des 3-triaethylammonium-2,2-dimethyl-1-propanolbromid [German]Tropasaeureester des 3-triaethylammonium-2,2-dimethyl-1-propanolbromidRefChem:318690DTXSID60985667N,N,N-Triethyl-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-2,2-dimethylpropan-1-aminium bromide
Database identifiers
- CAS
66941-43-3- PubChem CID
- 48512
- DTXSID
DTXSID60985667
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 363
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Compound notes
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