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

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
1. Names and Identifiers
1.1 Name
1,4-Benzenediamine,N'-[(1,4-dioxido-2-quinoxalinyl)methylene]-N,N-dimethyl-, N'-oxide
1.2 CAS No.
102-71-6
1.3 CID
7618
1.4 Molecular Formula
C13H16 (isomer)
1.5 Inchi
InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
1.6 InChkey
GSEJCLTVZPLZKY-UHFFFAOYSA-N
1.7 Canonical Smiles
C(CO)N(CCO)CCO
1.8 Isomers Smiles
C(CO)N(CCO)CCO
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

6. Computational chemical data
  • Molecular Weight:149.19g/mol
  • Molecular Formula:C13H16
  • 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==
8. Question & Answer
  • 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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