| CAS Number | 761001-65-4 |
| Catalog Number | AG003CW9(AGN-PC-07XU8S) |
| Chemical Name | 1-(3-Bromo-4-methylphenyl)piperidine |
| IUPAC Name | 1-(3-bromo-4-methylphenyl)piperidine |
| InChI | InChI=1S/C12H16BrN/c1-10-5-6-11(9-12(10)13)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3 |
| InChI Key | NYLCUCRPNIVCSQ-UHFFFAOYSA-N |
| MDL Number | MFCD11855915 |
| Molecular Formula | C12H16BrN |
| Molecular Weight | 254.1661 |
| SMILES | BrC1C(C)=CC=C(C=1)N1CCCCC1 |
| Synonyms | 1-(3-Bromo-4-methylphenyl)piperidine,
761001-65-4,
ACMC-209p1x,
SCHEMBL6826402,
CTK5E2476,
DTXSID30674915,
ANW-36739,
MFCD11855915,
ZINC36156123,
AKOS015834619,
RTR-024411,
AJ-92448,
CJ-18872,
ST2403137,
TR-024411,
V7651,
B-4032,
I14-24642,
C12H16BrN,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.171g/mol |
| Monoisotopic Mass | 253.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number