| CAS Number | 656797-88-5 |
| Catalog Number | AG00FCMG(AGN-PC-02W44Q) |
| Chemical Name | 2-Bromo-3-(homopiperidinyl)prop-1-ene |
| IUPAC Name | 1-(2-bromoprop-2-enyl)azepane |
| InChI | InChI=1S/C9H16BrN/c1-9(10)8-11-6-4-2-3-5-7-11/h1-8H2 |
| InChI Key | AXIWYDKNWICISY-UHFFFAOYSA-N |
| MDL Number | MFCD18915044 |
| Molecular Formula | C9H16BrN |
| Molecular Weight | 218.1340 |
| SMILES | BrC(CN1CCCCCC1)=C |
| Synonyms | 2-Bromo-3-(homopiperidinyl)prop-1-ene,
656797-88-5,
SCHEMBL10283324,
ZINC52440867,
1-(2-BROMOPROP-2-EN-1-YL)AZEPANE,
C-0184,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.138g/mol |
| Monoisotopic Mass | 217.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number