2-[4-(Boc-amino)-3-pyridyl]ethanol - CAS 219834-80-7

Catalog:	BB017239
Product Name:	2-[4-(Boc-amino)-3-pyridyl]ethanol
CAS:	219834-80-7
Synonyms:	N-[3-(2-hydroxyethyl)-4-pyridinyl]carbamic acid tert-butyl ester; tert-butyl N-[3-(2-hydroxyethyl)pyridin-4-yl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[3-(2-hydroxyethyl)pyridin-4-yl]carbamate
Description:	2-[4-(Boc-amino)-3-pyridyl]ethanol (CAS# 219834-80-7) is used as a reagent to prepare stable biaryl analogues that function as novel chiral nucleophilic catalysts.
Molecular Weight:	238.28
Molecular Formula:	C12H18N2O3
Canonical SMILES:	CC(C)(C)OC(=O)NC1=C(C=NC=C1)CCO
InChI:	InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10-4-6-13-8-9(10)5-7-15/h4,6,8,15H,5,7H2,1-3H3,(H,13,14,16)
InChI Key:	JPGIWDGEHZZRAD-UHFFFAOYSA-N
LogP:	1.38530

Publication Number	Title	Priority Date
AU-2013262578-A1	Fluorinated derivatives of 4-aminopyridine	20120517
AU-2013262578-B2	Fluorinated derivatives of 4-aminopyridine	20120517
CA-2911307-A1	Use of fluorinated derivatives of 4-aminopyridine in therapeutics and medical imaging	20120517
EP-2850044-A2	Use of fluorinated derivatives of 4-aminopyridine in therapeutics and medical imaging	20120517
EP-2850044-B1	Use of fluorinated derivatives of 4-aminopyridine in therapeutics and medical imaging	20120517

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Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.13174244
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	238.13174244
Rotatable Bond Count:	5
Topological Polar Surface Area:	71.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1