N-Phenyl-beta-bromoethylamine hydrobromide
Basic information
- CAS
1005-66-9- Standard SMILES
BrCC[NH2+]c1ccccc1.[Br-]- InChIKey
MXNALQRSXHOIEA-UHFFFAOYSA-N- Molecular formula
- C8H11Br2N
- Average molar mass
- 280.99 g/mol
- Monoisotopic mass
- 278.92582
Overview
See also: N-(2-Bromoethyl)anilinium bromide (preferred).
Names & identifiers
- Preferred name
- N-Phenyl-beta-bromoethylamine hydrobromide
- IUPAC
- 2-bromoethyl(phenyl)azanium bromide
- English name
- N-(2-Bromoethyl)aniline hydrobromide
- Molecular formula
- C8H11Br2N
- Molecular weight
- 280.98764
Names & synonyms
N-Phenyl-beta-bromoethylamine hydrobromideEINECS 213-738-5NSC 25318N-(2-Bromoethyl)benzenamine hydrobromideBenzenamine, N-(2-bromoethyl)-, hydrobromideANILINE, N-(2-BROMOETHYL)-, HYDROBROMIDE2-Bromoethyl-phenylazanium bromideDB-251399NS00080004N-(2-bromoethyl)anilinium bromide2-Bromoethyl(phenyl)azanium bromideN-(2-Bromoethyl)aniline hydrobromide
Database identifiers
- CAS
1005-66-9- PubChem CID
- 13867
Properties
Computed structural properties
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 79.3
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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