4- Hydroxy- benzenebutanoic Acid Methyl Ester - CAS 22320-10-1

Catalog:	BB061593
Product Name:	4- Hydroxy- benzenebutanoic Acid Methyl Ester
CAS:	22320-10-1
Synonyms:	4-(p-Hydroxyphenyl)butyric Acid Methyl Ester; Methyl 4-(4-Hydroxyphenyl)butanoate; Methyl 4-(4-Hydroxyphenyl)butyrate; Methyl Ester 4-Hydroxy Benzene butanoic Acid

Technical Data

IUPAC Name:	methyl 4-(4-hydroxyphenyl)butanoate
Description:	4- Hydroxy- benzenebutanoic Acid Methyl Ester is an intermediate in synthesizing Arbutamine (A766300). It is a cardiac stimulant. Arbutamine stimulates adrenergic receptors.
Molecular Weight:	194.23
Molecular Formula:	C11H14O3
Canonical SMILES:	COC(=O)CCCC1=CC=C(C=C1)O
InChI:	InChI=1S/C11H14O3/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3
InChI Key:	UZHISWLCHOMTIO-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Colourless Oil
Storage:	-20°C
References:	Sinusas, A., et al. J. Nucl. Med., 35, 664 (1994); Sansoy, V., et al. Circulation, 92, 994 (1995); Elhendy, A., et al. Eur. J. Nucl. Med., 23, 1354 (1996).

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.094294304
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.094294304
Rotatable Bond Count:	5
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4