| CAS Number | 501903-60-2 |
| Catalog Number | AG003CY7(AGN-PC-0KZSEG) |
| Chemical Name | 1-(4-bromo-2-methylphenyl)piperazine |
| IUPAC Name | 1-(4-bromo-2-methylphenyl)piperazine |
| InChI | InChI=1S/C11H15BrN2/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3 |
| InChI Key | QHGLIYDUBUVNLV-UHFFFAOYSA-N |
| MDL Number | MFCD03444506 |
| Molecular Formula | C11H15BrN2 |
| Molecular Weight | 255.1542 |
| SMILES | Cc1c(N2CCNCC2)ccc(c1)Br |
| Synonyms | 1-(4-bromo-2-methylphenyl)piperazine,
501903-60-2,
AC1MXMZ2,
Oprea1_041614,
SCHEMBL7057761,
CTK8E1599,
QHGLIYDUBUVNLV-UHFFFAOYSA-N,
ZINC3716181,
4952AJ,
MFCD03444506,
AKOS003587504,
TRA0082737,
AS-32100,
SY022473,
TC-306562,
Z-4707,
MFCD03444506 (95+%),
C11H15BrN2,
CID3768189,
1-(4-bromo-2-methyl-phenyl)piperazine,
6329-90-4,
|
| Complexity | 180 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.159g/mol |
| Monoisotopic Mass | 254.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number