Basic information
- CAS
887580-80-5- Standard SMILES
NCc1ccc(OCCBr)cc1- InChIKey
FCOJXIIXZZGSSL-UHFFFAOYSA-N- Molecular formula
- C9H12BrNO
- Average molar mass
- 230.1 g/mol
- Monoisotopic mass
- 229.01023
Names & identifiers
- Preferred name
- 1-[4-(2-Bromoethoxy)phenyl]methanamine
- IUPAC
- [4-(2-bromoethoxy)phenyl]methanamine
- English name
- 4-(2-Bromo-ethoxy)benzylamine
- Molecular formula
- C9H12BrNO
- Molecular weight
- 230.1
Names & synonyms
887580-80-54-(2-bromoethoxy)benzylamine1-[4-(2-Bromoethoxy)phenyl]methanamineDTXSID306953224-(2-Bromo-ethoxy)benzylamine[4-(2-bromoethoxy)phenyl]methanamine
Database identifiers
- CAS
887580-80-5- PubChem CID
- 53404103
- DTXSID
DTXSID30695322
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 113
Chemistry & industry
Suppliers1 total
BETAPHARMA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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