| CAS Number | 1197509-07-1 |
| Catalog Number | AG019WON |
| Chemical Name | 2,2,2-trifluoroethyl N-[3-(1H-imidazol-1-yl)propyl]carbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-(3-imidazol-1-ylpropyl)carbamate |
| InChI | InChI=1S/C9H12F3N3O2/c10-9(11,12)6-17-8(16)14-2-1-4-15-5-3-13-7-15/h3,5,7H,1-2,4,6H2,(H,14,16) |
| InChI Key | DZCDRXOBROHYRI-UHFFFAOYSA-N |
| MDL Number | MFCD13195843 |
| Molecular Formula | C9H12F3N3O2 |
| Molecular Weight | 251.2057 |
| SMILES | FC(COC(NCCCN1C=NC=C1)=O)(F)F |
| Synonyms | 2,2,2-trifluoroethyl N-[3-(1H-imidazol-1-yl)propyl]carbamate,
1197509-07-1,
CTK7G9618,
ZINC38342056,
AKOS009102092,
MCULE-4566848540,
NE51458,
EN300-52666,
Z803153766,
AC1Q4KBE,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.088161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.21g/mol |
| Monoisotopic Mass | 251.088161g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 56.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number