| CAS Number | 23672-96-0 |
| Catalog Number | AG002O2Z(AGN-PC-00G6LX) |
| Chemical Name | Isobutyl piperazine-1-carboxylate |
| IUPAC Name | 2-methylpropyl piperazine-1-carboxylate |
| InChI | InChI=1S/C9H18N2O2/c1-8(2)7-13-9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3 |
| InChI Key | KPEKTRARZLEBCG-UHFFFAOYSA-N |
| MDL Number | MFCD11128916 |
| Molecular Formula | C9H18N2O2 |
| Molecular Weight | 186.2514 |
| SMILES | CC(COC(N1CCNCC1)=O)C |
| Synonyms | Isobutyl piperazine-1-carboxylate,
23672-96-0,
SCHEMBL112264,
isobutyl 1-piperazinecarboxylate,
DTXSID60472648,
KPEKTRARZLEBCG-UHFFFAOYSA-N,
ZINC19815548,
AKOS000204132,
BBV-099441,
AJ-75230,
SC-57783,
piperazine N-carboxylic acid isobutyl ester,
piperazine-N-carboxylic acid isobutyl ester,
AX8259274,
EN300-61642,
1-Piperazinecarboxylic acid, 2-methylpropyl ester,
1-PIPERAZINECARBOXYLIC ACID,2-METHYLETHYL ESTER,
2-methylpropyl Piperazine-1-carboxylate,
CID11788701,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.255g/mol |
| Monoisotopic Mass | 186.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number