| CAS Number | 1193389-27-3 |
| Catalog Number | AG019VWV |
| Chemical Name | 4-(2,2,2-trifluoroethoxy)butan-1-amine hydrochloride |
| IUPAC Name | 4-(2,2,2-trifluoroethoxy)butan-1-amine;hydrochloride |
| InChI | InChI=1S/C6H12F3NO.ClH/c7-6(8,9)5-11-4-2-1-3-10;/h1-5,10H2;1H |
| InChI Key | CLMHLSMBIGUZPV-UHFFFAOYSA-N |
| MDL Number | MFCD12197268 |
| Molecular Formula | C6H13ClF3NO |
| Molecular Weight | 207.6217 |
| SMILES | Cl.NCCCCOCC(F)(F)F |
| Synonyms | 4-(2,2,2-trifluoroethoxy)butan-1-amine hydrochloride,
1193389-27-3,
AC1Q3DC0,
CTK7E8161,
MCULE-6298922115,
NE54790,
EN300-49744,
Z802671470,
|
| Complexity | 94.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.621g/mol |
| Monoisotopic Mass | 207.064g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number