AG00EFAX

62572-93-4 | 1-(4-(Hydroxymethyl)phenoxy)-3-(isopropylamino)propan-2-ol

AG00EFAX

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CAS Number	62572-93-4
Catalog Number	AG00EFAX(AGN-PC-0N32DJ)
Chemical Name	1-(4-(Hydroxymethyl)phenoxy)-3-(isopropylamino)propan-2-ol
IUPAC Name	1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
InChI	InChI=1S/C13H21NO3/c1-10(2)14-7-12(16)9-17-13-5-3-11(8-15)4-6-13/h3-6,10,12,14-16H,7-9H2,1-2H3
InChI Key	XWWMQUXRXOEXDS-UHFFFAOYSA-N
MDL Number	MFCD13287812
Molecular Formula	C13H21NO3
Molecular Weight	239.3107
SMILES	OCC1C=CC(OCC(CNC(C)C)O)=CC=1
Synonyms	Des(isopropoxyethyl) Bisoprolol, 62572-93-4, 1-(4-(Hydroxymethyl)phenoxy)-3-(isopropylamino)propan-2-ol, Benzenemethanol, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, Bisoprolol EP Impurity A, SCHEMBL2585653, CTK8F9045, DTXSID00438602, 1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol, AKOS010477464, FT-0666028, H 119/68, (rs)-1-(4-hydroxymethyl-phenoxy)-3-isopropylaminopropan-2-ol, (RS)-1-(4-Hydroxymethylphenoxy)-3-isopropylaminopropan-2-ol, 4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzenemethanol, CID10354230, Benzenemethanol,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.152g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	239.315g/mol
Monoisotopic Mass	239.152g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	61.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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