| CAS Number | 477847-10-2 |
| Catalog Number | AG00IS8A(AGN-PC-0WAPNJ) |
| Chemical Name | 1,1,1-Trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol |
| IUPAC Name | 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol |
| InChI | InChI=1S/C8H15F3N2O/c1-12-2-4-13(5-3-12)6-7(14)8(9,10)11/h7,14H,2-6H2,1H3 |
| InChI Key | DFEMGKICMMLUIF-UHFFFAOYSA-N |
| MDL Number | MFCD02081939 |
| Molecular Formula | C8H15F3N2O |
| Molecular Weight | 212.2127 |
| SMILES | CN1CCN(CC(C(F)(F)F)O)CC1 |
| Synonyms | 1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol,
477847-10-2,
1,1,1-trifluoro-3-(4-methylpiperazino)-2-propanol,
AC1MCBY3,
SCHEMBL13559794,
KS-00001R2N,
MFCD02081939,
AKOS013217147,
MCULE-5493965572,
10P-225,
F6545-5950,
CID2765894,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.216g/mol |
| Monoisotopic Mass | 212.114g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number