| CAS Number | 37038-26-9 |
| Catalog Number | AG00D2TR(AGN-PC-02OPXU) |
| Chemical Name | 1-Piperazinecarboxylicacid,1-methylethylester(9CI) |
| IUPAC Name | propan-2-yl piperazine-1-carboxylate |
| InChI | InChI=1S/C8H16N2O2/c1-7(2)12-8(11)10-5-3-9-4-6-10/h7,9H,3-6H2,1-2H3 |
| InChI Key | DLYGUJAHHVIIMA-UHFFFAOYSA-N |
| MDL Number | MFCD14585267 |
| Molecular Formula | C8H16N2O2 |
| Molecular Weight | 172.2248 |
| SMILES | O=C(N1CCNCC1)OC(C)C |
| Synonyms | 37038-26-9,
isopropyl piperazine-1-carboxylate,
1-Piperazinecarboxylic acid, 1-methylethyl ester,
1-Piperazinecarboxylicacid,1-methylethylester(9CI),
SCHEMBL1712728,
CTK4H7594,
ZINC39113840,
propan-2-yl piperazine-1-carboxylate,
AKOS011072721,
WT82219,
BP-11593,
ISOPROPYL-PIPERAZINE-1-CARBOXYLATE,
SC-57782,
K-8214,
1-PIPERAZINECARBOXYLIC ACID,1-METHYLETHYL ESTER,
1-Piperazinecarboxylic acid, 1-methylethyl ester (9CI),
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.228g/mol |
| Monoisotopic Mass | 172.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number