| CAS Number | 929971-55-1 |
| Catalog Number | AG019N5B(AGN-PC-0WO1XA) |
| Chemical Name | 4-amino-1,1,1-trifluoro-2-(1-methyl-1H-imidazol-2-yl)butan-2-ol |
| IUPAC Name | 4-amino-1,1,1-trifluoro-2-(1-methylimidazol-2-yl)butan-2-ol |
| InChI | InChI=1S/C8H12F3N3O/c1-14-5-4-13-6(14)7(15,2-3-12)8(9,10)11/h4-5,15H,2-3,12H2,1H3 |
| InChI Key | SIEKIPLBGOZGPG-UHFFFAOYSA-N |
| MDL Number | MFCD09040614 |
| Molecular Formula | C8H12F3N3O |
| Molecular Weight | 223.1956 |
| SMILES | CN1C(C(C(F)(F)F)(CCN)O)=NC=C1 |
| Synonyms | 4-amino-1,1,1-trifluoro-2-(1-methyl-1H-imidazol-2-yl)butan-2-ol,
929971-55-1,
AC1Q3YYB,
CTK7E7254,
AKOS009118955,
MCULE-4287652465,
NE30695,
EN300-39433,
Z237732596,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.199g/mol |
| Monoisotopic Mass | 223.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number