3-(Boc-amino)-3-(4-bromophenyl)-1-propanol - CAS 898404-64-3

Catalog:	BB039625
Product Name:	3-(Boc-amino)-3-(4-bromophenyl)-1-propanol
CAS:	898404-64-3
Synonyms:	N-[1-(4-bromophenyl)-3-hydroxypropyl]carbamic acid tert-butyl ester; tert-butyl N-[1-(4-bromophenyl)-3-hydroxypropyl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[1-(4-bromophenyl)-3-hydroxypropyl]carbamate
Description:	3-(Boc-amino)-3-(4-bromophenyl)-1-propanol (CAS# 898404-64-3 ) is a useful research chemical.
Molecular Weight:	330.22
Molecular Formula:	C14H20BrNO3
Canonical SMILES:	CC(C)(C)OC(=O)NC(CCO)C1=CC=C(C=C1)Br
InChI:	InChI=1S/C14H20BrNO3/c1-14(2,3)19-13(18)16-12(8-9-17)10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChI Key:	UBCLDDKLEQYVPZ-UHFFFAOYSA-N
LogP:	3.60170

Publication Number	Title	Priority Date
WO-2020236688-A1	Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes	20190522
WO-2020236690-A1	Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes	20190522
WO-2020102576-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
TW-202033504-A	Compounds and compositions for treating conditions associated with nlrp activity	20181116
EP-3880659-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116

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Complexity:	283
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	329.06266
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	329.06266
Rotatable Bond Count:	6
Topological Polar Surface Area:	58.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8