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1-[2-[(Tetrahydropyran-4-yl)oxy]phenyl]methylamine

1-[2-[(Tetrahydropyran-4-yl)oxy]phenyl]methylamine - CAS 898289-33-3

Catalog:	BB039616
Product Name:	1-[2-[(Tetrahydropyran-4-yl)oxy]phenyl]methylamine
CAS:	898289-33-3
Synonyms:	[2-(4-oxanyloxy)phenyl]methanamine; [2-(oxan-4-yloxy)phenyl]methanamine

Technical Data

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Computed Properties

IUPAC Name:	[2-(oxan-4-yloxy)phenyl]methanamine
Description:	1-[2-[(Tetrahydropyran-4-yl)oxy]phenyl]methylamine (CAS# 898289-33-3) is a useful research chemical.
Molecular Weight:	207.27
Molecular Formula:	C12H17NO2
Canonical SMILES:	C1COCCC1OC2=CC=CC=C2CN
InChI:	InChI=1S/C12H17NO2/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,11H,5-9,13H2
InChI Key:	RYSYBWINUIGVGZ-UHFFFAOYSA-N
Boiling Point:	336 °C at 760 mmHg
Density:	1.108 g/cm³
LogP:	2.40340

Publication Number	Title	Priority Date
US-2020345715-A1	Ligands of the Mu, Kappa, and Delta Opioid Receptors	20171114
CA-3053484-A1	Aminotriazolopyridines as kinase inhibitors	20170213
EP-3580220-A1	Aminotriazolopyridines as kinase inhibitors	20170213
JP-2020507582-A	Aminotriazolopyridines as kinase inhibitors	20170213
KR-20190117006-A	Aminotriazolopyridine as kinase inhibitor	20170213

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.125928785
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.125928785
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2