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(4-Methoxy-pyridin-2-yl)-carbamic acid tert-butyl ester

(4-Methoxy-pyridin-2-yl)-carbamic acid tert-butyl ester - CAS 551950-46-0

Name: (4-Methoxy-pyridin-2-yl)-carbamic acid tert-butyl ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028938
Product Name:	(4-Methoxy-pyridin-2-yl)-carbamic acid tert-butyl ester
CAS:	551950-46-0
Synonyms:	tert-butyl N-(4-methoxypyridin-2-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(4-methoxypyridin-2-yl)carbamate
Description:	(4-Methoxy-pyridin-2-yl)-carbamic acid tert-butyl ester (CAS# 551950-46-0) is a useful research chemical.
Molecular Weight:	224.26
Molecular Formula:	C11H16N2O3
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC=CC(=C1)OC
InChI:	InChI=1S/C11H16N2O3/c1-11(2,3)16-10(14)13-9-7-8(15-4)5-6-12-9/h5-7H,1-4H3,(H,12,13,14)
InChI Key:	APPULKDYZGWMNP-UHFFFAOYSA-N
Boiling Point:	291.8 °C at 760 mmHg
Density:	1.146 g/cm³
MDL:	MFCD05663515
LogP:	2.51020

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3814343-A1	Cardiac sarcomere inhibitors	20180626
US-2021276991-A1	Cardiac sarcomere inhibitors	20180626
US-2021069337-A1	Integrin targeting ligands and uses thereof	20180427
AU-2013277258-A1	Heteroaryl compounds and methods of use thereof	20120619
AU-2013277258-B2	Heteroaryl compounds and methods of use thereof	20120619

Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.11609238
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.11609238
Rotatable Bond Count:	4
Topological Polar Surface Area:	60.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7