| CAS Number | 1214064-58-0 |
| Catalog Number | AG00J1IR |
| Chemical Name | 3-isopropyl-1-methyl-2-piperazinone hydrochloride |
| IUPAC Name | 1-methyl-3-propan-2-ylpiperazin-2-one;hydrochloride |
| InChI | InChI=1S/C8H16N2O.ClH/c1-6(2)7-8(11)10(3)5-4-9-7;/h6-7,9H,4-5H2,1-3H3;1H |
| InChI Key | AKDVBOQVEPFILV-UHFFFAOYSA-N |
| MDL Number | MFCD13031913 |
| Molecular Formula | C8H17ClN2O |
| Molecular Weight | 192.6864 |
| SMILES | C1(=O)C(C(C)C)NCCN1C.Cl |
| Synonyms | 3-Isopropyl-1-methylpiperazin-2-one hydrochloride,
1214064-58-0,
ZX-CM004666,
MFCD13031913,
3-isopropyl-1-methyl-2-piperazinone hydrochloride,
4016248-25G,
4016248-50G,
3-Isopropyl-1-methylpiperazin-2-one hydrochloride, AldrichCPR,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.687g/mol |
| Monoisotopic Mass | 192.103g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number