| CAS Number | 914223-46-4 |
| Catalog Number | AG01ALT9 |
| Chemical Name | 3-Amino-4,4,4-Trifluorobutan-1-Ol |
| IUPAC Name | 3-amino-4,4,4-trifluorobutan-1-ol |
| InChI | InChI=1S/C4H8F3NO/c5-4(6,7)3(8)1-2-9/h3,9H,1-2,8H2 |
| InChI Key | IUHWBCZMCVRCST-UHFFFAOYSA-N |
| MDL Number | MFCD09032643 |
| Molecular Formula | C4H8F3NO |
| Molecular Weight | 143.1076 |
| SMILES | C(CC(C(F)(F)F)N)O |
| Synonyms | 3-Amino-4,4,4-trifluorobutan-1-ol,
914223-46-4,
1-Butanol, 3-amino-4,4,4-trifluoro-,
SCHEMBL17770337,
MFCD09032643,
AKOS006329822,
AS-48355,
Z2350746116,
(R)-3-Amino-4,4,4-trifluorobutan-1-ol,
(S)-3-Amino-4,4,4-trifluorobutan-1-ol,
1388098-52-9,
881539-56-6,
|
| Complexity | 82.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.109g/mol |
| Monoisotopic Mass | 143.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number