AG00CACI

354153-65-4 | (S)-b-Amino-4-bromo-benzeneethanol

AG00CACI

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CAS Number	354153-65-4
Catalog Number	AG00CACI(AGN-PC-0WALH7)
Chemical Name	(S)-b-Amino-4-bromo-benzeneethanol
IUPAC Name	(2S)-2-amino-2-(4-bromophenyl)ethanol
InChI	InChI=1S/C8H10BrNO/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8,11H,5,10H2/t8-/m1/s1
InChI Key	KTNHFPRYCCCOQV-MRVPVSSYSA-N
MDL Number	MFCD09256372
Molecular Formula	C8H10BrNO
Molecular Weight	216.0751
SMILES	OC[C@@H](N)C1=CC=C(Br)C=C1
Synonyms	354153-65-4, (S)-2-Amino-2-(4-bromophenyl)ethanol, (2S)-2-amino-2-(4-bromophenyl)ethan-1-ol, (S)-2-amino-2-(4-bromophenyl)ethan-1-ol, (S)-b-Amino-4-bromo-benzeneethanol, (S)-(p-Bromophenyl)glycinol, SCHEMBL8514591, EBD701000, MFCD09256372, ZINC12404600, (S)-beta-Amino-4-bromobenzeneethanol, AKOS015928766, (S)-beta-Amino-4-bromo-benzeneethanol, FCH1376497, (S)-2-amino-2-(4-bromophenyl)ethanol;, DS-10291, CS-0089900, (S)-2-amino-2-(4-bromophenyl)ethan-1-ol;, (2S)-2-AMINO-2-(4-BROMOPHENYL)ETHAN-1-OL HCl, (2S)-2-amino-2-(4-bromophenyl)ethan-1-ol hydrochloride,

Complexity	113
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	214.995g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	216.078g/mol
Monoisotopic Mass	214.995g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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