4-Morpholino-1-butanol - CAS 5835-79-0

Catalog:	BB030014
Product Name:	4-Morpholino-1-butanol
CAS:	5835-79-0
Synonyms:	4-(4-morpholinyl)-1-butanol; 4-morpholin-4-ylbutan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	4-morpholin-4-ylbutan-1-ol
Description:	4-Morpholino-1-butanol (CAS# 5835-79-0) is a useful research chemical.
Molecular Weight:	159.23
Molecular Formula:	C8H17NO2
Canonical SMILES:	C1COCCN1CCCCO
InChI:	InChI=1S/C8H17NO2/c10-6-2-1-3-9-4-7-11-8-5-9/h10H,1-8H2
InChI Key:	URFFPMJFOHTCLI-UHFFFAOYSA-N
Boiling Point:	255.368 °C at 760 mmHg
Density:	1.016 g/cm³
Appearance:	Liquid
MDL:	MFCD03211280
LogP:	0.02900

Publication Number	Title	Priority Date
US-2021230112-A1	Nanomaterials	20200109
CA-3051419-A1	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817
US-2020055871-A1	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817
WO-2020036574-A1	Activators of the retinoic acid inducible gene "rig-i' pathway and methods of use thereof	20180817
WO-2020036812-A1	Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof	20180817

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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

Complexity:	92.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.125928785
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.125928785
Rotatable Bond Count:	4
Topological Polar Surface Area:	32.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1