| CAS Number | 63285-59-6 |
| Catalog Number | AG00E9RC(AGN-PC-0N6ND2) |
| Chemical Name | Ethyl 1-benzyl-4-methylpiperazine-2-carboxylate |
| IUPAC Name | ethyl 1-benzyl-4-methylpiperazine-2-carboxylate |
| InChI | InChI=1S/C15H22N2O2/c1-3-19-15(18)14-12-16(2)9-10-17(14)11-13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3 |
| InChI Key | ONEHQIOWNHNCLM-UHFFFAOYSA-N |
| MDL Number | MFCD09037897 |
| Molecular Formula | C15H22N2O2 |
| Molecular Weight | 262.3474 |
| SMILES | CCOC(=O)C1CN(C)CCN1CC1=CC=CC=C1 |
| Synonyms | ETHYL 1-BENZYL-4-METHYLPIPERAZINE-2-CARBOXYLATE,
63285-59-6,
ethyl 4-methyl-1-(phenylmethyl)piperazine-2-carboxylate,
SCHEMBL3306018,
CTK5B8467,
DTXSID20441830,
ONEHQIOWNHNCLM-UHFFFAOYSA-N,
AB2830,
MFCD09037897,
AS-44659,
A834313,
1-benzyl-4-methylpiperazine-2-carboxylic acid, ethyl ester,
4-methyl-1-(phenylmethyl)-2-piperazinecarboxylic acid ethyl ester,
CID10563447,
Ethyl 1-benzyl-4-methyl-piperazine-2-carboxylate,
ETHYL1-BENZYL-4-METHYLPIPERAZINE-2-CARBOXYLATE,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.353g/mol |
| Monoisotopic Mass | 262.168g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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