Basic information
- CAS
89796-20-3- Standard SMILES
C=C(Br)CNCCCC- InChIKey
RMUNFLYJZZIBJK-UHFFFAOYSA-N- Molecular formula
- C7H14BrN
- Average molar mass
- 192.1 g/mol
- Monoisotopic mass
- 191.03096
Names & identifiers
- Preferred name
- Allylamine, 2-bromo-N-butyl-
- IUPAC
- N-(2-bromoprop-2-enyl)butan-1-amine
Names & synonyms
ALLYLAMINE, 2-BROMO-N-BUTYL-N-(n-Butyl)-2-bromoallylamineBRN 174567389796-20-3DTXSID502379054-04-00-01093 (Beilstein Handbook Reference)RefChem:318098DTXCID60160396N-(2-bromoprop-2-enyl)-N-butylamineNCGC00339856-01N-(2-Bromoprop-2-en-1-yl)butan-1-amineAB01332595-02
Database identifiers
- CAS
89796-20-3- PubChem CID
- 56013
- DTXSID
DTXSID50237905- Nikkaji
- J75.003D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 81
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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