| CAS Number | 54711-70-5 |
| Catalog Number | AG01CAA5(AGN-PC-0L098O) |
| Chemical Name | 1-(3-Chloro-2-methylphenyl)piperazine |
| IUPAC Name | 1-(3-chloro-2-methylphenyl)piperazine |
| InChI | InChI=1S/C11H15ClN2/c1-9-10(12)3-2-4-11(9)14-7-5-13-6-8-14/h2-4,13H,5-8H2,1H3 |
| InChI Key | XSWFFTOMNHATMS-UHFFFAOYSA-N |
| MDL Number | MFCD01928408 |
| Molecular Formula | C11H15ClN2 |
| Molecular Weight | 210.7032 |
| SMILES | CC1=C(N2CCNCC2)C=CC=C1Cl |
| Synonyms | 1-(3-chloro-2-methylphenyl)piperazine,
54711-70-5,
AC1MWKTF,
Oprea1_611649,
SCHEMBL1077363,
XSWFFTOMNHATMS-UHFFFAOYSA-N,
ZINC3716187,
(3-chloro-2-methyl-phenyl)piperazine,
Piperazine, 1-(3-chloro-2-methylphenyl)-,
FT-0728941,
AJ-333/36117048,
CID3800845,
1-(3-chloro-2-methyl-phenyl)piperazine,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.705g/mol |
| Monoisotopic Mass | 210.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number