| CAS Number | 56903-88-9 |
| Catalog Number | AG00IA5F(AGN-PC-0WOIQI) |
| Chemical Name | Methyl 1-benzyl-4-methylpiperazine-2-carboxylate |
| IUPAC Name | methyl 1-benzyl-4-methylpiperazine-2-carboxylate |
| InChI | InChI=1S/C14H20N2O2/c1-15-8-9-16(13(11-15)14(17)18-2)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3 |
| InChI Key | ZTZITNFZYUECFT-UHFFFAOYSA-N |
| MDL Number | MFCD09836456 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | COC(=O)C1CN(C)CCN1CC1=CC=CC=C1 |
| Synonyms | methyl 1-benzyl-4-methylpiperazine-2-carboxylate,
56903-88-9,
SCHEMBL17919877,
MFCD09836456,
AKOS005067399,
AS-30305,
FT-0698612,
1-Benzyl-4-methyl piperazine-2-Carboxylic acid methyl ester,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.326g/mol |
| Monoisotopic Mass | 248.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number