| CAS Number | 747413-17-8 |
| Catalog Number | AG00ICK1(AGN-PC-09RWLN) |
| Chemical Name | 1-(3-Bromophenyl)-4-methylpiperazine |
| IUPAC Name | 1-(3-bromophenyl)-4-methylpiperazine |
| InChI | InChI=1S/C11H15BrN2/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8H2,1H3 |
| InChI Key | HJRZEXYEOXVFGH-UHFFFAOYSA-N |
| MDL Number | MFCD14584698 |
| Molecular Formula | C11H15BrN2 |
| Molecular Weight | 255.1542 |
| SMILES | BrC=1C=C(C=CC1)N1CCN(CC1)C |
| Synonyms | 1-(3-BROMOPHENYL)-4-METHYLPIPERAZINE,
747413-17-8,
PIPERAZINE, 1-(3-BROMOPHENYL)-4-METHYL-,
SCHEMBL1559226,
HJRZEXYEOXVFGH-UHFFFAOYSA-N,
ZINC41325072,
AKOS022317270,
AB70534,
FCH1325442,
WT81969,
1-(3-bromophenyl)-4-methyl piperazine,
1-(3-Bromophenyl)-4-methyl-piperazine,
1-(3-Bromo-phenyl)-4-methyl-piperazine,
CS-0061769,
FT-0714375,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.159g/mol |
| Monoisotopic Mass | 254.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 6.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number