| CAS Number | 1810074-87-3 |
| Catalog Number | AG0022LE(AGN-PC-0WAMAF) |
| Chemical Name | Benzenemethanamine, 3-chloro-α-methyl-4-(trifluoromethyl)-, hydrochloride (1:1), (αR)- |
| IUPAC Name | (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H9ClF3N.ClH/c1-5(14)6-2-3-7(8(10)4-6)9(11,12)13;/h2-5H,14H2,1H3;1H/t5-;/m1./s1 |
| InChI Key | MKLIPTAHHVPGMI-NUBCRITNSA-N |
| MDL Number | MFCD24419924 |
| Molecular Formula | C9H10Cl2F3N |
| Molecular Weight | 260.0836 |
| SMILES | C[C@@H](N)C1=CC=C(C(F)(F)F)C(Cl)=C1.[H]Cl |
| Synonyms | 1810074-87-3,
(R)-1-(3-Chloro-4-(trifluoromethyl)phenyl)ethanamine hydrochloride,
(1R)-1-[3-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HCl,
MFCD24419924,
AKOS025395787,
GS-7198,
KS-00000T16,
AX8297083,
(R)-1-(3-Chloro-4-(trifluoromethyl)phenyl)ethanamine HCl,
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]ethan-1-amine hydrochloride,
Benzenemethanamine, 3-chloro-alpha-methyl-4-(trifluoromethyl)-, hydrochloride (1:1), (alphaR)-,
MKLIPTAHHVPGMI-NUBCRITNSA-N,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.081g/mol |
| Monoisotopic Mass | 259.014g/mol |
| Rotatable Bond Count | 1 |
| 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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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number