N-Ethyl-4-bromobenzylamine
Basic information
- CAS
856795-95-4- Standard SMILES
CCNCc1ccc(Br)cc1- InChIKey
RVGAYUIZZCACIV-UHFFFAOYSA-N- Molecular formula
- C9H12BrN
- Average molar mass
- 214.1 g/mol
- Monoisotopic mass
- 213.01531
Names & identifiers
- Preferred name
- N-Ethyl-4-bromobenzylamine
- IUPAC
- N-[(4-bromophenyl)methyl]ethanamine
- English name
- N-Ethyl-4-bromobenzylamine
- Molecular formula
- C9H12BrN
- Molecular weight
- 214.1
Names & synonyms
N-ETHYL-4-BROMOBENZYLAMINE856795-95-4DTXSID00405874RefChem:363959DTXCID50356726N-(4-bromobenzyl)ethanamineN-[(4-bromophenyl)methyl]ethanamine[(4-bromophenyl)methyl](ethyl)amineMFCD074049974-bromo-N-ethylbenzenemethanamine(4-bromobenzyl)ethylamineSCHEMBL2552412
Show more names
(4-bromobenzyl)ethylamine(SALTDATA: HCl)
SCHEMBL8851885CHEMBL4912427N-(4-bromobenzyl)-N-ethylamineRVGAYUIZZCACIV-UHFFFAOYSA-NSTK510872Benzenemethanamine, 4-bromo-N-ethyl-AKOS000148296AS-31579
Database identifiers
- CAS
856795-95-4- PubChem CID
- 4716477
- DTXSID
DTXSID00405874- ChEMBL
CHEMBL4912427
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesN-(4-Bromobenzyl)ethanamine is used in preparation of 2-Benzoyl-1,2,3,4-tetrahydroisoquinolin-7-ol and 2-Benzoyl-1,2,3,4-tetrahydroisoquinolin-7-yl Sulfamate compounds for treatment of hormone-dependent diseases.
Related reactions
1 records
Compound notes
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