4-(Aminomethyl)oxan-4-ol Hydrochloride - CAS 666261-01-4

Catalog:	BB033071
Product Name:	4-(Aminomethyl)oxan-4-ol Hydrochloride
CAS:	666261-01-4
Synonyms:	4-(aminomethyl)-4-oxanol;hydrochloride; 4-(aminomethyl)oxan-4-ol;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(aminomethyl)oxan-4-ol;hydrochloride
Description:	4-(Aminomethyl)oxan-4-ol Hydrochloride (CAS# 666261-01-4) is a reagent used in the preparation of aminopyrimidinecarboxamides and their use as CB2-type cannabinoid receptor modulators.
Molecular Weight:	167.63
Molecular Formula:	C6H14ClNO2
Canonical SMILES:	C1COCCC1(CN)O.Cl
InChI:	InChI=1S/C6H13NO2.ClH/c7-5-6(8)1-3-9-4-2-6;/h8H,1-5,7H2;1H
InChI Key:	ILUSBJDVXKZYEP-UHFFFAOYSA-N
LogP:	0.98890

Publication Number	Title	Priority Date
WO-2021021951-A1	Wdr5-myc inhibitors	20190729
AU-2017291826-A1	Phosphorus prodrugs of sgc stimulators	20160707
CA-3029374-A1	Phosphorus prodrugs of sgc stimulators	20160707
EP-3481837-A1	Phosphorus prodrugs of sgc stimulators	20160707
KR-20190026841-A	phosphorylated drugs of sGC stimulants	20160707

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	89.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0713064
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	167.0713064
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0