| CAS Number | 1391528-41-8 |
| Catalog Number | AG001AF4(AGN-PC-0WB2Q5) |
| Chemical Name | (1S)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine hydrochloride |
| IUPAC Name | (1S)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C10H10F3N.ClH/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13;/h2-6,9H,1,14H2;1H/t9-;/m0./s1 |
| InChI Key | LIXYGVSHBCXOGR-FVGYRXGTSA-N |
| MDL Number | MFCD12068559 |
| Molecular Formula | C10H11ClF3N |
| Molecular Weight | 237.6492 |
| SMILES | Cl.FC(F)(F)C1(=CC=C(C(N)C=C)C=C1) |
| Synonyms | 1391528-41-8,
(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine hydrochloride,
(S)-1-(4-Trifluoromethylphenyl)allylamine HCl,
KS-00002BAA,
ZX-RL002251,
4116AD,
6735AA,
MFCD12068559,
AKOS016340555,
SS-4618,
PC200088,
C10H11ClF3N,
C25H23NO5,
(1S)-1-[4-(Trifluoromethyl)phenyl]-prop-2-en-1-amine hydrochloride,
(2R,3R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-4-phenylbutanoic acid,
1391586-46-1,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.65g/mol |
| Monoisotopic Mass | 237.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number