Ammonium, diethyl(4-hydroxybutyl)methyl-, bromide, m-anisate
Basic information
- CAS
29278-78-2- Standard SMILES
CC[N+](C)(CC)CCCCOC(=O)c1cccc(OC)c1.[Br-]- InChIKey
RINHLTMDCWLOBR-UHFFFAOYSA-M- Molecular formula
- C17H28BrNO3
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 373.12526
Names & identifiers
- Preferred name
- Ammonium, diethyl(4-hydroxybutyl)methyl-, bromide, m-anisate
- IUPAC
- diethyl-[4-(3-methoxybenzoyl)oxybutyl]-methylazanium bromide
- English name
- Ammonium, diethyl(4-hydroxybutyl)methyl-, bromide, m-anisate
- Molecular formula
- C17H28NO3.Br
- Molecular weight
- 374.316
Names & synonyms
Diethyl(4-hydroxybutyl)methylammonium bromide m-anisate29278-78-2Ammonium, diethyl(4-hydroxybutyl)methyl-, bromide, m-anisateRefChem:319250DTXSID20951863N,N-Diethyl-4-[(3-methoxybenzoyl)oxy]-N-methylbutan-1-aminium bromide
Database identifiers
- CAS
29278-78-2- PubChem CID
- 207173
- DTXSID
DTXSID20951863
Properties
Computed structural properties
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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