Basic information
- CAS
595-81-3- Standard SMILES
CC1(C)C2CCC1(C)C(OC(=O)C(Br)C(Br)c1ccccc1)C2- InChIKey
BRONBTPPHUNMRC-UHFFFAOYSA-N- Molecular formula
- C19H24Br2O2
- Average molar mass
- 444.2 g/mol
- Monoisotopic mass
- 442.01431
Names & identifiers
- Preferred name
- Adamon
- IUPAC
- (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,3-dibromo-3-phenylpropanoate
- English name
- Bornyl dibromodihydrocinnamate
- Molecular formula
- C19H24Br2O2
- Molecular weight
- 444.2
Names & synonyms
Adamon595-81-3RefChem:109649Borneol, alpha,beta-dibromohydrocinnamateDTXSID60974910(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2,3-dibromo-3-phenylpropanoate2-Bornyl alpha,beta-dibromohydrocinnamateHydrocinnamic acid, alpha,beta-dibromo-, 2-bornyl ester, endo-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 2,3-dibromo-3-phenylpropanoate(endo)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl alpha,beta,-dibromobenzenepropanoateBenzenepropanoic acid, alpha,beta-dibromo-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, endo-Bornyl dibromodihydrocinnamate
Show more names
Benzenepropanoic acid, α,β-dibromo-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo- (9CI)
Database identifiers
- CAS
595-81-3- PubChem CID
- 64797
- DTXSID
DTXSID60974910
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 420.833 · 420.833±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.488 · 1.488±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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