N-Butyldiethanolamine - CAS 102-79-4

Catalog:	BB000949
Product Name:	N-Butyldiethanolamine
CAS:	102-79-4
Synonyms:	2-[butyl(2-hydroxyethyl)amino]ethanol

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2-[butyl(2-hydroxyethyl)amino]ethanol
Description:	N-Butyldiethanolamine (CAS# 102-79-4) is a dye/stain. Dyes and metabolites.
Molecular Weight:	161.24
Molecular Formula:	C8H19NO2
Canonical SMILES:	CCCCN(CCO)CCO
InChI:	InChI=1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3
InChI Key:	GVNHOISKXMSMPX-UHFFFAOYSA-N
Boiling Point:	264-278 °C
Density:	0.968 g/cm³
Appearance:	Colourless to light yellow liquid
MDL:	MFCD00002856
LogP:	0.07310

Publication Number	Title	Priority Date
EP-3838891-A1	Aldimines and uses thereof	20191219
WO-2021122594-A1	Aldimines and uses thereof	20191219
WO-2021122840-A1	Cosmetic composition comprising a cationic associative polymer, a carboxylic anionic surfactant, optionally a nonionic surfactant and an amphoteric or zwitterionic surfactant	20191218
US-2021179774-A1	Polymeric anti-agglomerant hydrate inhibitor	20191213
WO-2021118769-A1	Polymeric anti-agglomerant hydrate inhibitor	20191213

PMID	Publication Date	Title	Journal
22310968	20120328	Synthesis, magnetic properties, and STM spectroscopy of an unprecedented octanuclear chloro-bridged nickel(II) double cubane	Dalton transactions (Cambridge, England : 2003)
21070004	20101220	A family of 3d-4f octa-nuclear [Mn(III)(4)Ln(III)(4)] wheels (Ln = Sm, Gd, Tb, Dy, Ho, Er, and Y): synthesis, structure, and magnetism	Inorganic chemistry
20188885	20100415	Effect of hydroxyl and amino groups on electrochemiluminescence activity of tertiary amines at low tris(2,2'-bipyridyl)ruthenium(II) concentrations	Talanta
19317423	20090420	Family of heterometallic semicircular Mn(III)2Ln(III)3 strands	Inorganic chemistry
19274289	20090328	Mono-, di- and polynuclear copper(II) compounds derived from N-butyldiethanolamine: structural features, magnetism and catalytic activity for the mild peroxidative oxidation of cyclohexane	Dalton transactions (Cambridge, England : 2003)

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GHS Hazard Statement:	H314 (22.86%): 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:	72.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.141578849
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	161.141578849
Rotatable Bond Count:	7
Topological Polar Surface Area:	43.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1