AG00I349

1951425-23-2 | (2S)-2-Amino-2-(3-fluoro-2-methylphenyl)ethan-1-ol hcl

AG00I349

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CAS Number	1951425-23-2
Catalog Number	AG00I349(AGN-PC-0WNGDS)
Chemical Name	(2S)-2-Amino-2-(3-fluoro-2-methylphenyl)ethan-1-ol hcl
IUPAC Name	(2S)-2-amino-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
InChI	InChI=1S/C9H12FNO.ClH/c1-6-7(9(11)5-12)3-2-4-8(6)10;/h2-4,9,12H,5,11H2,1H3;1H/t9-;/m1./s1
InChI Key	ZBQXUHCCNVLRHD-SBSPUUFOSA-N
MDL Number	MFCD24417001
Molecular Formula	C9H13ClFNO
Molecular Weight	205.6570
SMILES	CC1=C(C=CC=C1F)[C@@H](CO)N.Cl
Synonyms	1951425-23-2, (2S)-2-AMINO-2-(3-FLUORO-2-METHYLPHENYL)ETHAN-1-OL HCl, (S)-2-Amino-2-(3-fluoro-2-methylphenyl)ethanol hydrochloride, (2S)-2-amino-2-(3-fluoro-2-methylphenyl)ethan-1-ol hydrochloride, (S)-2-Amino-2-(3-fluoro-2-methylphenyl)ethanol HCl, SCHEMBL19554972, KS-00000LCJ, KS-000026EE, MFCD24417001, AKOS027334530, GS-7220, Z-7993,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	205.067g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	205.657g/mol
Monoisotopic Mass	205.067g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.2A^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

Certificate of Analysis

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