N-(2-Bromoethyl)aniline
Basic information
- CAS
699-11-6- Standard SMILES
BrCCNc1ccccc1- InChIKey
AQRDPQOVPUDAQO-UHFFFAOYSA-N- Molecular formula
- C8H10BrN
- Average molar mass
- 200.08 g/mol
- Monoisotopic mass
- 198.99966
Names & identifiers
- Preferred name
- N-(2-Bromoethyl)aniline
- IUPAC
- N-(2-bromoethyl)aniline
- English name
- N-(2-bromoethyl)aniline
- Molecular formula
- C8H10BrN
- Molecular weight
- 200.08
Names & synonyms
N-(2-Bromoethyl)anilineXG5YZQ6RPRBenzenamine, N-(2-bromoethyl)-N-(2-BROMOETHYL)BENZENAMINEEINECS 211-827-3AI3-52956DTXSID90220179RefChem:161683DTXCID40142670211-827-3699-11-6UNII-XG5YZQ6RPR
Show more names
(2-bromoethyl)phenylamineSCHEMBL2005814AQRDPQOVPUDAQO-UHFFFAOYSA-NAKOS002391980CS-0367699NS00036979ST45026106
Database identifiers
- CAS
699-11-6- PubChem CID
- 13868
- DTXSID
DTXSID90220179- UNII
- XG5YZQ6RPR
- EC Number
- 211-827-3
- Nikkaji
- J193.057E
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
- 10
- Formal charge
- 0
- Complexity
- 79.3
Physicochemical properties
- Boiling point
- 280 · 280.0±23.0 °C(Predicted)
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- pka
- 3.95 · 3.95±0.50(Predicted)
- FDA UNII
- 5 YZQ6RPR · XG5YZQ6RPR
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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