| CAS Number | 80949-76-4 |
| Catalog Number | AG0050J7(AGN-PC-0WB3BV) |
| Chemical Name | (3S)-3-Isopropyl-1-methylpiperazine |
| IUPAC Name | (3S)-1-methyl-3-propan-2-ylpiperazine |
| InChI | InChI=1S/C8H18N2/c1-7(2)8-6-10(3)5-4-9-8/h7-9H,4-6H2,1-3H3/t8-/m1/s1 |
| InChI Key | AWEMTXATTGFXPG-MRVPVSSYSA-N |
| MDL Number | MFCD09802307 |
| Molecular Formula | C8H18N2 |
| Molecular Weight | 142.2419 |
| SMILES | CN1CCN[C@H](C1)C(C)C |
| Synonyms | (3S)-3-ISOPROPYL-1-METHYLPIPERAZINE,
80949-76-4,
(3S)-1-Methyl-3-(propan-2-yl)piperazine,
SCHEMBL82212,
CTK5E8351,
DTXSID80672380,
ZX-CM002948,
FCH836428,
MFCD09802307,
ZINC23093610,
AKOS006280326,
AKOS016000075,
AJ-81639,
Y-5520,
(3S)-3-isopropyl-1-methylpiperazine, AldrichCPR,
ACN-030862,
-3-ISOPROPYL-1-METHYLPIPERAZINE,
Piperazine, 1-methyl-3-(1-methylethyl)-, (3S)-,
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| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.246g/mol |
| Monoisotopic Mass | 142.147g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number