| CAS Number | 1308646-85-6 |
| Catalog Number | AG01A996(AGN-PC-0WOR29) |
| Chemical Name | (2S)-3-amino-1,1,1-trifluoropropan-2-ol hydrochloride |
| IUPAC Name | (2S)-3-amino-1,1,1-trifluoropropan-2-ol;hydrochloride |
| InChI | InChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(8)1-7;/h2,8H,1,7H2;1H/t2-;/m0./s1 |
| InChI Key | DHSCPPZGIAEZHF-DKWTVANSSA-N |
| MDL Number | MFCD16547686 |
| Molecular Formula | C3H7ClF3NO |
| Molecular Weight | 165.5420 |
| SMILES | O[C@@H](CN)C(F)(F)F.[H]Cl |
| Synonyms | (2S)-3-amino-1,1,1-trifluoropropan-2-ol hydrochloride,
1308646-85-6,
AC1Q3CVQ,
(S)-3-Amino-1,1,1-trifluoropropan-2-ol hydrochloride,
SCHEMBL20705297,
MFCD16547686,
AKOS026741470,
NE23241,
EN300-64499,
(S)-3-Amino-1,1,1-trifluoro-propan-2-ol hydrochloride,
Z2235329646,
|
| Complexity | 71.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.54g/mol |
| Monoisotopic Mass | 165.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number