Basic information
- CAS
1229608-66-5- Standard SMILES
CCC1CCCCN1c1ccc(Br)cc1C=O- InChIKey
MPXUGUVMPWKLRI-UHFFFAOYSA-N- Molecular formula
- C14H18BrNO
- Average molar mass
- 296.2 g/mol
- Monoisotopic mass
- 295.05718
Names & identifiers
- Preferred name
- 5-Bromo-2-(2-ethylpiperidin-1-YL)benzaldehyde
- IUPAC
- 5-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde
- English name
- 5-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde
- Molecular formula
- C14H18BrNO
- Molecular weight
- 296.2
Names & synonyms
5-BROMO-2-(2-ETHYLPIPERIDIN-1-YL)BENZALDEHYDE1229608-66-5SCHEMBL410426MPXUGUVMPWKLRI-UHFFFAOYSA-NSB43795DA-13996Benzaldehyde, 5-bromo-2-(2-ethyl-1-piperidinyl)-
Database identifiers
- CAS
1229608-66-5- PubChem CID
- 58554124
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 397.7 · 397.7±32.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- pka
- 2.2 · 2.20±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
德拜科技有限公司00852-2521 1836
ASTATECH[email protected]
ARENA CHEMICAL[email protected]
MATRIX[email protected]
Related reactions
6 records
Compound notes
Loading…