Basic information
- CAS
66827-51-8- Standard SMILES
C=C(Br)CC(C(=O)OCC(C)(C)CN(CC)CC)c1ccccc1- InChIKey
ULBPJZCMKCOMJF-UHFFFAOYSA-N- Molecular formula
- C20H30BrNO2
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 395.14599
Names & identifiers
- Preferred name
- Acetic acid, 2-(2-bromoallyl)-2-phenyl-, 3-(diethylamino)-2,2-dimethylpropyl ester
- IUPAC
- [3-(diethylamino)-2,2-dimethylpropyl] 4-bromo-2-phenylpent-4-enoate
- English name
- 2-(2-Bromoallyl)-2-phenylacetic acid 3-(diethylamino)-2,2-dimethylpropyl ester
- Molecular formula
- C20H30BrNO2
- Molecular weight
- 396.36
Names & synonyms
Acetic acid, 2-(2-bromoallyl)-2-phenyl-, 3-(diethylamino)-2,2-dimethylpropyl ester66827-51-8RefChem:1075717BRN 3390438Phenylbromoallyl-essigsaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol [German]DTXSID209854063-(Diethylamino)-2,2-dimethylpropyl 4-bromo-2-phenylpent-4-enoatePhenylbromoallyl-essigsaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol2-(2-Bromoallyl)-2-phenylacetic acid 3-(diethylamino)-2,2-dimethylpropyl esterBenzeneacetic acid, α-(2-bromo-2-propen-1-yl)-, 3-(diethylamino)-2,2-dimethylpropyl ester
Database identifiers
- CAS
66827-51-8- PubChem CID
- 48092
- DTXSID
DTXSID20985406- Nikkaji
- J85.198A
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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