AG002XEY

29122-74-5 | 4-(2-Hydroxy-3-(isopropylamino)propoxy)benzaldehyde

AG002XEY

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CAS Number	29122-74-5
Catalog Number	AG002XEY(AGN-PC-00NBMB)
Chemical Name	4-(2-Hydroxy-3-(isopropylamino)propoxy)benzaldehyde
IUPAC Name	4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzaldehyde
InChI	InChI=1S/C13H19NO3/c1-10(2)14-7-12(16)9-17-13-5-3-11(8-15)4-6-13/h3-6,8,10,12,14,16H,7,9H2,1-2H3
InChI Key	BGHLBXLHZRCXRY-UHFFFAOYSA-N
MDL Number	MFCD16251410
Molecular Formula	C13H19NO3
Molecular Weight	237.2949
SMILES	O=CC1=CC=C(OCC(O)CNC(C)C)C=C1
Synonyms	29122-74-5, 4-[2-HYDROXY-3-[(1-METHYLETHYL)AMINO]PROPOXY]BENZALDEHYDE, 4-(2-Hydroxy-3-(isopropylamino)propoxy)benzaldehyde, Benzaldehyde,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, Benzaldehyde, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, Metoprolol related compound C, Bisoprolol EP Impurity L, Benzaldehyde, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, Metoprolol related compound C [USP], Metoprolol related compound C RS [USP], Metoprolol tartrate specified impurity C [EP], Metoprolol succinate specified impurity C [EP], H-128/80, p-[2-Hydroxy-3-(isopropylamino)propoxy]benzaldehyde, SCHEMBL5317103, CTK4G2757, MET-238, (+/-)-4-(2-Hydroxy-3-(1-methylethyl)aminopropoxy)benzaldehyde, STL450904, AKOS030254534, FT-0669787, H 128/80, J-017399, 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzaldehyde, 4-[[(2rs)-2-hydroxy-3-(isopropylamino)propyl]oxy]-benzaldehyde, UNII-E1ILP72SEM, Metoprolol EP Impurity C, E1ILP72SEM, CS-T-27813, H128/80,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.136g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	237.299g/mol
Monoisotopic Mass	237.136g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H319
Packing Group	\N
Precautionary statements	P305+P351+P338
UN Code	\N

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