2-(Hydroxymethyl)homomorpholine - CAS 1207254-23-6

Catalog:	BB004947
Product Name:	2-(Hydroxymethyl)homomorpholine
CAS:	1207254-23-6
Synonyms:	1,4-oxazepan-2-ylmethanol; 1,4-oxazepan-2-ylmethanol

Technical Data

Patents

Computed Properties

IUPAC Name:	1,4-oxazepan-2-ylmethanol
Description:	2-(Hydroxymethyl)homomorpholine (CAS# 1207254-23-6) is a useful research chemical.
Molecular Weight:	131.17
Molecular Formula:	C6H13NO2
Canonical SMILES:	C1CNCC(OC1)CO
InChI:	InChI=1S/C6H13NO2/c8-5-6-4-7-2-1-3-9-6/h6-8H,1-5H2
InChI Key:	NOMOXHNWEMMVCR-UHFFFAOYSA-N
Appearance:	Liquid
LogP:	-0.31400

Publication Number	Title	Priority Date
WO-2021161105-A1	P2x3 modulators	20200214
AU-2017200338-B2	(2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase i inhibitors	20140124
AU-2018202956-A1	(2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase i inhibitors	20140124
WO-2015110826-A1	(2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase i inhibitors	20140124
US-2010168080-A1	Novel compounds useful as cc chemokine receptor ligands	20081217

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Complexity:	77.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.094628657
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	131.094628657
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8