| CAS Number | 93591-85-6 |
| Catalog Number | AG01A8MI(AGN-PC-00M40J) |
| Chemical Name | N-(4-bromophenyl)-1-methylpiperidin-4-amine |
| IUPAC Name | N-(4-bromophenyl)-1-methylpiperidin-4-amine |
| InChI | InChI=1S/C12H17BrN2/c1-15-8-6-12(7-9-15)14-11-4-2-10(13)3-5-11/h2-5,12,14H,6-9H2,1H3 |
| InChI Key | DEKGLRDTPBZZBL-UHFFFAOYSA-N |
| MDL Number | MFCD11144879 |
| Molecular Formula | C12H17BrN2 |
| Molecular Weight | 269.1808 |
| SMILES | CN1CCC(NC2=CC=C(Br)C=C2)CC1 |
| Synonyms | N-(4-bromophenyl)-1-methylpiperidin-4-amine,
93591-85-6,
AC1Q3ZN6,
SCHEMBL4422085,
DEKGLRDTPBZZBL-UHFFFAOYSA-N,
ZINC19772266,
AKOS000240450,
MCULE-4501064427,
NE38204,
EN300-62021,
Z1262254369,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.186g/mol |
| Monoisotopic Mass | 268.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number