AG0007YB

1026230-99-8 | (2S)-2-Amino-2-(3-methylphenyl)ethan-1-ol

AG0007YB

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CAS Number	1026230-99-8
Catalog Number	AG0007YB(AGN-PC-0WB00M)
Chemical Name	(2S)-2-Amino-2-(3-methylphenyl)ethan-1-ol
IUPAC Name	(2S)-2-amino-2-(3-methylphenyl)ethanol
InChI	InChI=1S/C9H13NO/c1-7-3-2-4-8(5-7)9(10)6-11/h2-5,9,11H,6,10H2,1H3/t9-/m1/s1
InChI Key	RJJLTGSKFNJQCZ-SECBINFHSA-N
MDL Number	MFCD09253708
Molecular Formula	C9H13NO
Molecular Weight	151.2056
SMILES	CC1=CC([C@H](N)CO)=CC=C1
Synonyms	(S)-2-Amino-2-(m-tolyl)ethanol, 1026230-99-8, (2S)-2-AMINO-2-(3-METHYLPHENYL)ETHAN-1-OL, (2S)-2-amino-2-(3-methylphenyl)ethan-1-ol hydrochloride, AK162058, SCHEMBL18765644, FCH866286, MFCD09253708, ZINC38124648, AKOS006329689, AKOS015928144, (S)-beta-Amino-3-methyl-benzeneethanol, AS-49826, AX8297240, CS-0089919, (S)-b-Amino-3-methyl-benzeneethanol,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	151.1g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	151.209g/mol
Monoisotopic Mass	151.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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

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