| CAS Number | 486439-08-1 |
| Catalog Number | AG00DIZL(AGN-PC-0S0CK9) |
| Chemical Name | ethyl 4-[2-(3-chlorophenyl)-2-hydroxyethyl]tetrahydro-1(2H)-pyrazinecarboxylate |
| IUPAC Name | ethyl 4-[2-(3-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C15H21ClN2O3/c1-2-21-15(20)18-8-6-17(7-9-18)11-14(19)12-4-3-5-13(16)10-12/h3-5,10,14,19H,2,6-9,11H2,1H3 |
| InChI Key | VFBWFDKKLOJBBS-UHFFFAOYSA-N |
| MDL Number | MFCD08689678 |
| Molecular Formula | C15H21ClN2O3 |
| Molecular Weight | 312.7918 |
| SMILES | ClC=1C=C(C=CC1)C(CN1CCN(CC1)C(=O)OCC)O |
| Synonyms | 486439-08-1,
Ethyl 4-[2-(3-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate,
ethyl 4-[2-(3-chlorophenyl)-2-hydroxyethyl]tetrahydro-1(2h)-pyrazinecarboxylate,
ETHYL 4-[2-(3-CHLOROPHENYL)-2-HYDROXYETHYL]-TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE,
Ethyl 4-(2-(3-chlorophenyl)-2-hydroxyethyl)piperazine-1-carboxylate,
CTK6F9399,
DTXSID60455572,
KS-000024RR,
4204AE,
MFCD08689678,
AKOS005072457,
EA-0721,
RP16352,
RTR-064596,
TR-064596,
J-520911,
ethylchlorophenylhydroxyethyltetrahydropyrazinecarboxylate,
C15H21ClN2O3,
CID11109772,
Ethyl 4-[2-(3-chlorophenyl)-2-hydroxy-ethyl]piperazine-1-carboxylate,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.794g/mol |
| Monoisotopic Mass | 312.124g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number