N-tert-Butyldiethanolamine - CAS 2160-93-2

Name: N-tert-Butyldiethanolamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017007
Product Name:	N-tert-Butyldiethanolamine
CAS:	2160-93-2
Synonyms:	2-[tert-butyl(2-hydroxyethyl)amino]ethanol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-[tert-butyl(2-hydroxyethyl)amino]ethanol
Description:	N-tert-Butyldiethanolamine (CAS# 2160-93-2 ) is a useful research chemical.
Molecular Weight:	161.24
Molecular Formula:	C8H19NO2
Canonical SMILES:	CC(C)(C)N(CCO)CCO
InChI:	InChI=1S/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3
InChI Key:	XHJGXOOOMKCJPP-UHFFFAOYSA-N
Boiling Point:	136-139 °C / 12 mmHg (lit.)
Density:	0.989 g/cm³
Appearance:	Light yellow solidified mass or fragments
MDL:	MFCD00020584
LogP:	0.07150

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Related Functional Groups

Oxygen Compounds

[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[5896-75-3]C20H25N3O3
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[202288-73-1]C12H14Cl2N2O
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

GHS Hazard Statement:	H314 (97.5%): 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

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PMID	Publication Date	Title	Journal
20401425	20100528	Structures and magnetic properties of Mn(III)₄Ln(III)₄ aggregates with a 'square-in-square' topology	Dalton transactions (Cambridge, England : 2003)
19551775	20090727	Modelling the magnetic behaviour of square-pyramidal Co(II)5 aggregates: tuning SMM behaviour through variations in the ligand shell	Chemistry (Weinheim an der Bergstrasse, Germany)
19530694	20090720	Tridecanuclear [Mn(III)5Ln(III)8] complexes derived from N-(t)butyl-diethanolamine: synthesis, structures, and magnetic properties	Inorganic chemistry

Complexity:	92.8
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:	5
Topological Polar Surface Area:	43.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1