AG00I3YC

2061996-71-0 | (S)-1-(5-(Trifluoromethyl)pyridin-2-yl)ethanamine dihydrochloride

AG00I3YC

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CAS Number	2061996-71-0
Catalog Number	AG00I3YC(AGN-PC-0WNGMW)
Chemical Name	(S)-1-(5-(Trifluoromethyl)pyridin-2-yl)ethanamine dihydrochloride
IUPAC Name	(1S)-1-[5-(trifluoromethyl)pyridin-2-yl]ethanamine;dihydrochloride
InChI	InChI=1S/C8H9F3N2.2ClH/c1-5(12)7-3-2-6(4-13-7)8(9,10)11;;/h2-5H,12H2,1H3;2*1H/t5-;;/m0../s1
InChI Key	MLLTXCGPJHCQRC-XRIGFGBMSA-N
MDL Number	MFCD30730065
Molecular Formula	C8H11Cl2F3N2
Molecular Weight	263.0875
SMILES	C[C@H](N)C1=NC=C(C(F)(F)F)C=C1.[H]Cl.[H]Cl
Synonyms	(S)-1-(5-(Trifluoromethyl)pyridin-2-yl)ethanamine dihydrochloride, 2061996-71-0, KS-00000U6P, MFCD30730065, DS-19923,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	262.025g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	263.085g/mol
Monoisotopic Mass	262.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

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