| CAS Number | 1144037-37-5 |
| Catalog Number | AG000B8S(AGN-PC-0CXLQW) |
| Chemical Name | 3,5-Dichlorobenzyl piperazine-1-carboxylate |
| IUPAC Name | (3,5-dichlorophenyl)methyl piperazine-1-carboxylate |
| InChI | InChI=1S/C12H14Cl2N2O2/c13-10-5-9(6-11(14)7-10)8-18-12(17)16-3-1-15-2-4-16/h5-7,15H,1-4,8H2 |
| InChI Key | RBPSRPYEBWMAGK-UHFFFAOYSA-N |
| MDL Number | MFCD22384788 |
| Molecular Formula | C12H14Cl2N2O2 |
| Molecular Weight | 289.1578 |
| SMILES | Clc1cc(Cl)cc(COC(=O)N2CCNCC2)c1 |
| Synonyms | 3,5-dichlorobenzyl piperazine-1-carboxylate,
1144037-37-5,
SCHEMBL171688,
RBPSRPYEBWMAGK-UHFFFAOYSA-N,
KS-000001KO,
MFCD22384788,
ZINC95629369,
AKOS028109816,
DA-15302,
FT-0712747,
1-Piperazinecarboxylic acid, (3,5-dichlorophenyl)methyl ester,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.156g/mol |
| Monoisotopic Mass | 288.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number