AG005T64

951247-75-9 | (S)-1-(4-(Trifluoromethoxy)phenyl)ethanamine

AG005T64

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CAS Number	951247-75-9
Catalog Number	AG005T64(AGN-PC-0W4Q57)
Chemical Name	(S)-1-(4-(Trifluoromethoxy)phenyl)ethanamine
IUPAC Name	(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine
InChI	InChI=1S/C9H10F3NO/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6H,13H2,1H3/t6-/m0/s1
InChI Key	VTLIABOHZPSHRN-LURJTMIESA-N
MDL Number	MFCD08057413
Molecular Formula	C9H10F3NO
Molecular Weight	205.1770
SMILES	C[C@H](N)C1=CC=C(OC(F)(F)F)C=C1
Synonyms	(S)-1-(4-(Trifluoromethoxy)phenyl)ethanamine, 951247-75-9, (1S)-1-[4-(Trifluoromethoxy)phenyl]ethan-1-amine, SCHEMBL1727739, CTK8B7789, KS-00001DLN, DTXSID00654567, VTLIABOHZPSHRN-LURJTMIESA-N, CS-B0180, ZINC8698320, 6343AC, ANW-58589, MFCD08057413, PS-8104, AJ-58049, TC-147334, (S)-1-(4-trifluoromethoxy-phenyl)-ethylamine, (1S)-1-[4-(Trifluoromethoxy)phenyl]ethylamin, (S)-1-(4-(trifluoromethoxy)phenyl)ethan-1-amine, S01-0750, (aS)-a-Methyl-4-(trifluoromethoxy)benzenemethanamine, Benzenemethanamine,alpha-methyl-4-(trifluoromethoxy)-,(alphaS)-, Benzenemethanamine,, C9H10F3NO, Benzenemethanamine,a-methyl-4- -, -, ACN-054898, (S)-1-(4-(Trifluoromethoxy)phenyl)ethamine, (S)-1-(4-(Trifluoromethoxy)phenyl)ethanamine, 97% - 1G 1g,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	205.071g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.18g/mol
Monoisotopic Mass	205.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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