1,4-Benzenediamine,N'-[(1,4-dioxido-2-quinoxalinyl)methylene]-N,N-dimethyl-, N'-oxide

Iupac Name：2-[bis(2-hydroxyethyl)amino]ethanol

CAS No.：102-71-6

Molecular Weight：149.19

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1. Names and Identifiers

1.1 Name: 1,4-Benzenediamine,N'-[(1,4-dioxido-2-quinoxalinyl)methylene]-N,N-dimethyl-, N'-oxide

2. 3D Conformer

3. Properties

3.1 Density: 1.42

3.2 Melting Point: 21 °C

3.3 Vapour: 0.01 mm Hg ( 20 °C)

3.4 Refractive Index: n20/D 1.485(lit.)

3.5 Flash Point: 244.1°C

4. Safety and Handling

4.1 Risk Statements: 36/37/38-36

4.2 Safety Statements: 26-39-36

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. Computational chemical data

Molecular Weight：149.19g/mol
Molecular Formula：C_₁₃H_₁₆
Compound Is Canonicalized：True
XLogP3-AA：_1
Exact Mass：149.105
Monoisotopic Mass：149.105
Complexity：55.7
Rotatable Bond Count：6
Hydrogen Bond Donor Count：3
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：63.9A^2
Heavy Atom Count：10
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint： AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAAAADhgAYAAAMAAgAA AAAAAAAAAAAAAAAAAAAIAAACEAAAAAAAAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==

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8. Question & Answer

What is Triethanolamine? Feb 07 2020
General Description Triethanolamine,or TEA is a viscous, colourless/pale yellow liquid with a weak ammoniacal odour. Triethanolamine is incompatible with copper, copper alloys, galvanised iron, acids, and oxidisers. TEA is both a tertiary amine and a triol. A triol is a molecule with three alcohol ...

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