Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate
Basic information
- CAS
73664-07-0- Standard SMILES
CCC(C(=O)OCCC[N+](C)(CC)CC)c1ccccc1.[I-]- InChIKey
ADOMOBOBDDVOLP-UHFFFAOYSA-M- Molecular formula
- C18H30INO2
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 419.13213
Names & identifiers
- Preferred name
- Ammonium, diethyl(3-hydroxypropyl)methyl-, iodide, 2-phenylbutyrate
- IUPAC
- diethyl-methyl-[3-(2-phenylbutanoyloxy)propyl]azanium iodide
Names & synonyms
73664-07-0Diethyl(3-hydroxypropyl)methyl ammonium iodide, 2-phenylbutyrateAMMONIUM, DIETHYL(3-HYDROXYPROPYL)METHYL-, IODIDE, 2-PHENYLBUTYRATEalpha-Phenyl-butyrate du diethylamino-propanol iodomethylate [French]alpha-Phenyl-butyrate du diethylamino-propanol iodomethylateRefChem:319248DTXSID30994468N,N-Diethyl-N-methyl-3-[(2-phenylbutanoyl)oxy]propan-1-aminium iodide
Database identifiers
- CAS
73664-07-0- PubChem CID
- 52019
- DTXSID
DTXSID30994468
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 294
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Related reactions
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Compound notes
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