AG008537

105321-49-1 | Benzenemethanamine,3-fluoro-4-methoxy-a-methyl-

AG008537

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CAS Number	105321-49-1
Catalog Number	AG008537(AGN-PC-0OUJOK)
Chemical Name	Benzenemethanamine,3-fluoro-4-methoxy-a-methyl-
IUPAC Name	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
InChI Key	WGUPBBABCUKYCC-UHFFFAOYSA-N
MDL Number	MFCD04116349
Molecular Formula	C9H12FNO
Molecular Weight	169.1961
SMILES	CC(N)C1=CC=C(OC)C(F)=C1
Synonyms	1-(3-fluoro-4-methoxyphenyl)ethanamine, 105321-49-1, 1-(3'-Fluoro-4'-methoxyphenyl)ethylamine, 1-(3-fluoro-4-methoxyphenyl)ethan-1-amine, Benzenemethanamine,3-fluoro-4-methoxy-a-methyl-, 1-(3-fluoro-4-methoxy-phenyl)-ethylamine, (1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine, ACMC-20drd7, AC1Q45KW, AC1N1P04, SCHEMBL10361055, CTK4A3737, KS-00003KCO, DTXSID10398662, ALBB-004960, MFCD04116349, STK501499, AKOS000118235, AKOS016340862, AS02620, FS-1333, MCULE-3280978268, RTR-045626, AK130220, AB0067889, DB-017208, TR-045626, 4CH-019497, BB 0217817, FT-0758646, 3-Fluoro-4-methoxy-a-methylbenzenemethanamine, EN300-13892, Y-1223, Z94599150, (S)-1-(3-FLUORO-4-METHOXYPHENYL)ETHANAMINE, CID4033858, 1-(3-fluoro-4-methoxy-phenyl)ethanamine, 870849-66-4,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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