| CAS Number | 1306746-95-1 |
| Catalog Number | AG009FDH(AGN-PC-0WR0P9) |
| Chemical Name | 2-BROMO-3-(3-METHYLPIPERIDINO)PROP-1-ENE |
| IUPAC Name | 1-(2-bromoprop-2-enyl)-3-methylpiperidine |
| InChI | InChI=1S/C9H16BrN/c1-8-4-3-5-11(6-8)7-9(2)10/h8H,2-7H2,1H3 |
| InChI Key | NAWZPXIHCWXUIL-UHFFFAOYSA-N |
| MDL Number | MFCD11174126 |
| Molecular Formula | C9H16BrN |
| Molecular Weight | 218.1340 |
| SMILES | BrC(=C)CN1CCCC(C1)C |
| Synonyms | 2-Bromo-3-(3-methylpiperidino)prop-1-ene,
1306746-95-1,
SCHEMBL10283319,
C-0387,
1-(2-BROMOPROP-2-EN-1-YL)-3-METHYLPIPERIDINE,
|
| Complexity | 145 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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