AG004PNY

870849-66-4 | (S)-1-(3-Fluoro-4-methoxyphenyl)ethanamine

AG004PNY

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CAS Number	870849-66-4
Catalog Number	AG004PNY(AGN-PC-0VAKW6)
Chemical Name	(S)-1-(3-Fluoro-4-methoxyphenyl)ethanamine
IUPAC Name	(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
InChI	InChI=1S/C9H12FNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/t6-/m0/s1
InChI Key	WGUPBBABCUKYCC-LURJTMIESA-N
MDL Number	MFCD06761862
Molecular Formula	C9H12FNO
Molecular Weight	169.1961
SMILES	FC1=C(OC)C=CC([C@H](C)N)=C1
Synonyms	(S)-1-(3-FLUORO-4-METHOXYPHENYL)ETHANAMINE, 870849-66-4, (1S)-1-(3-Fluoro-4-methoxyphenyl)ethan-1-amine, (1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine, SCHEMBL1239665, CTK8C6699, DTXSID50426872, KS-00000LB6, ZINC2528613, AKOS015851962, DS-6617, AJ-38320, (1S)-(3-fluoro-4-methoxyphenyl)ethylamine, ST2401650, TC-066052, FT-0651881, (1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethanamine, A841944, I01-6066, - ethylamine, ACN-055268, CID7016603, 1-(3-fluoro-4-methoxy-phenyl)ethanamine, (S)-1-(3-FLUORO-4-METHOXYPHENYL)ETHANAMINE-HCl,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	169.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.199g/mol
Monoisotopic Mass	169.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number