| CAS Number | 1513553-41-7 |
| Catalog Number | AG01AFJW(AGN-PC-0WO57D) |
| Chemical Name | 1-(3-Methylpiperazin-1-yl)propan-2-ol |
| IUPAC Name | 1-(3-methylpiperazin-1-yl)propan-2-ol |
| InChI | InChI=1S/C8H18N2O/c1-7-5-10(4-3-9-7)6-8(2)11/h7-9,11H,3-6H2,1-2H3 |
| InChI Key | HMDZCMMVIPVAFY-UHFFFAOYSA-N |
| MDL Number | MFCD20958877 |
| Molecular Formula | C8H18N2O |
| Molecular Weight | 158.2413 |
| SMILES | CC(CN1CC(C)NCC1)O |
| Synonyms | 1-(3-methylpiperazin-1-yl)propan-2-ol,
1513553-41-7,
AKOS014786340,
NE16704,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.245g/mol |
| Monoisotopic Mass | 158.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number