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Merck
CN

471240

N-Butyldiethanolamine

≥98.6%

Synonym(s):

2,2′-Butyliminodiethanol, N,N-Bis(2-hydroxyethyl)butylamine

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About This Item

Linear Formula:
CH3(CH2)3N(CH2CH2OH)2
CAS Number:
102-79-4
Molecular Weight:
161.24
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24870708
EC Number:
203-055-0
Beilstein/REAXYS Number:
1739642
MDL number:
MFCD00002856
Assay:
≥98.6%

Key Documents

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InChI key

GVNHOISKXMSMPX-UHFFFAOYSA-N

InChI

1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3

SMILES string

CCCCN(CCO)CCO

vapor density

5.5 (vs air)

vapor pressure

1 mmHg ( 25 °C)

assay

≥98.6%

Quality Level

100

bp

273-275 °C/741 mmHg (lit.)

mp

−70 °C (lit.)

density

0.986 g/mL at 25 °C (lit.)

functional group

amine, hydroxyl

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General description

N-Butyldiethanolamine (N-n-butyldiethanolamine) is a tertiary amine. It acts as an N-substituted diethanolamine ligand. It reacts with chromium(II) and lanthanide(III)/rare earth salts (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y) in the presence of coligands to afford three series of isostructural 1:1 3d(Cr(III))/4f(Ln(III)) coordination cluster compounds.

Application

N-Butyldiethanolamine (H2bdea, N-n-butyldiethanolamine) has been used in the synthesis of the following complexes (Hdnba = 3,5-dinitrobenzoic acid, Hpta = p-toluic acid, H2tpa = terephthalic acid):
  • new mononuclear [Cu(Hbdea)2]·2Hdnba , dinuclear [Cu2(μ-Hbdea)2(N3)2] and [Cu2(μ-Hbdea)2(pta)2]·2H2O
  • 1D polymeric [Cu2(μ-Hbdea)2(μ-tpa)]n·2nH2O copper(II) compounds
  • tetranuclear 3d-4f single-molecule magnet (SMM) complexes

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H318

Hazard Classifications

Eye Dam. 1

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

265.1 °F - closed cup

flash_point_c

129.5 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBF4912V
SHBF1441V
SHBF1443V
SHBF1442V
SHBF0228V

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Julia Rinck et al.
Inorganic chemistry, 54(7), 3107-3117 (2015-03-11)
Reactions of the N-substituted diethanolamine ligand N-n-butyldiethanolamine with chromium(II) and lanthanide(III)/rare earth salts (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y) in the presence of coligands give access to three series
Stuart K Langley et al.
Inorganic chemistry, 54(7), 3631-3642 (2015-03-24)
Six tetranuclear 3d–4f single-molecule magnet (SMM) complexes formed using N-n-butyldiethanolamine and N-methyldiethanolamine in conjunction with ortho- and para-substituted benzoic acid and hexafluoroacetoacetone ligands yield two families, both having a butterfly metallic core. The first consists of four complexes of type
Katrin R Gruenwald et al.
Dalton transactions (Cambridge, England : 2003), (12)(12), 2109-2120 (2009-03-11)
The new mononuclear [Cu(Hbdea)(2)].2Hdnba (), dinuclear [Cu(2)(mu-Hbdea)(2)(N(3))(2)] () and [Cu(2)(mu-Hbdea)(2)(pta)(2)].2H(2)O (), and 1D polymeric [Cu(2)(mu-Hbdea)(2)(mu-tpa)](n).2nH(2)O () copper(II) compounds have been prepared by self-assembly, in aqueous alkali medium and at ambient conditions, from Cu(II) acetate, N-butyldiethanolamine (H(2)bdea) and the corresponding auxiliary
Giorgio Rizzi et al.
Cell reports, 34(11), 108867-108867 (2021-03-18)
The firing activity of dorso-medial-striatal-cholinergic interneurons (dmCINs) is a neural correlate of classical conditioning. Tonically active, they pause in response to salient stimuli, mediating acquisition of predictive cues/outcome associations. Cortical and thalamic inputs are typical of the rather limited knowledge

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