1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1)
Basic information
- CAS
14164-57-9- Standard SMILES
Br.CC(=O)OC1CN(C)CC=C1c1ccccc1- InChIKey
QJMIHNGRZNEILW-UHFFFAOYSA-N- Molecular formula
- C14H18BrNO2
- Average molar mass
- 312.2 g/mol
- Monoisotopic mass
- 311.05209
Names & identifiers
- Preferred name
- 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1)
- IUPAC
- (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) acetate;hydrobromide
Names & synonyms
14164-57-9DTXSID009311481-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1)RefChem:1055813DTXCID5013598631-Methyl-4-phenyl-1,2,3,6-tetrahydro-3-pyridinol acetate hydrobromide3-Pyridinol, 1,2,3,6-tetrahydro-1-methyl-4-phenyl-, acetate, hydrobromide
Database identifiers
- CAS
14164-57-9- PubChem CID
- 203322
- DTXSID
DTXSID00931148
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
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Compound notes
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