3-(Boc-amino)-3-(4-methoxyphenyl)-1-propanol - CAS 96363-26-7

Catalog:	BB041965
Product Name:	3-(Boc-amino)-3-(4-methoxyphenyl)-1-propanol
CAS:	96363-26-7
Synonyms:	N-[3-hydroxy-1-(4-methoxyphenyl)propyl]carbamic acid tert-butyl ester; tert-butyl N-[3-hydroxy-1-(4-methoxyphenyl)propyl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[3-hydroxy-1-(4-methoxyphenyl)propyl]carbamate
Description:	3-(Boc-amino)-3-(4-methoxyphenyl)-1-propanol (CAS# 96363-26-7) is a useful research chemical.
Molecular Weight:	281.35
Molecular Formula:	C15H23NO4
Canonical SMILES:	CC(C)(C)OC(=O)NC(CCO)C1=CC=C(C=C1)OC
InChI:	InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-13(9-10-17)11-5-7-12(19-4)8-6-11/h5-8,13,17H,9-10H2,1-4H3,(H,16,18)
InChI Key:	KIILCIAJJCYALF-UHFFFAOYSA-N
LogP:	2.84780

Publication Number	Title	Priority Date
EP-1697316-A1	Novel intermediates for the synthesis of (r)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation	20031217
WO-2005058810-A1	Novel intermediates for the synthesis of (r)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation	20031217

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Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.16270821
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	281.16270821
Rotatable Bond Count:	7
Topological Polar Surface Area:	67.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1