| CAS Number | 686721-33-5 |
| Catalog Number | AG00J0WI(AGN-PC-0TTDO1) |
| Chemical Name | 1-(1-ethylpropyl)piperazine dihydrochloride |
| IUPAC Name | 1-pentan-3-ylpiperazine;dihydrochloride |
| InChI | InChI=1S/C9H20N2.2ClH/c1-3-9(4-2)11-7-5-10-6-8-11;;/h9-10H,3-8H2,1-2H3;2*1H |
| InChI Key | CMTOSZQSFQQQST-UHFFFAOYSA-N |
| MDL Number | MFCD22421962 |
| Molecular Formula | C9H22Cl2N2 |
| Molecular Weight | 229.1904 |
| SMILES | N1(CCNCC1)C(CC)CC.Cl.Cl |
| Synonyms | 1-(1-ethylpropyl)piperazine dihydrochloride,
686721-33-5,
SCHEMBL4386425,
CMTOSZQSFQQQST-UHFFFAOYSA-N,
ZX-CM001569,
MFCD22421962,
AKOS032963126,
1-(1-Ethyl-propyl)-piperazine dihydrochloride,
piperazine, 1-(1-ethylpropyl)-, 2hcl,
|
| Complexity | 93.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.189g/mol |
| Monoisotopic Mass | 228.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number