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Home> Hot Product Listed N   > N-[6,7-Dichloro-3-(2-phenylethenyl)-2-quinoxalinyl]-N,N',N'-trimethyl-1,3-propanediamine
90-80-2 structure

N-[6,7-Dichloro-3-(2-phenylethenyl)-2-quinoxalinyl]-N,N',N'-trimethyl-1,3-propanediamine

Iupac Name:(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CAS No.:90-80-2
Molecular Weight:178.14000
Molecular Formula:C5H4BCL2NO2 (isomer)
Names and Identifiers
Synonyms

(e)-6,7-dichloro-n-(3-(dimethylamino)propyl)-n-methyl-3-styrylquinolin-2-amine A26166 AN-4162 DTXSID20701825 fjjzllddyqtggh-uhfffaoysa-n n-(6,7-dichloro-3-styryl-quinoalin-2-yl)-n,n,n-trimethyl-propane-1,3-diamine N-[6,7-Dichloro-3-(2-phenylethenyl)-2-quinoxalinyl]-N,N',N'-trimethyl-1,3-propanediamine n~1~-[6,7-dichloro-3-(2-phenylethenyl)quinoxalin-2-yl]-n~1~,n~3~,n~3~-trimethylpropane-1,3-diamine n1-[6,7-dichloro-3-(2-phenylethenyl)-2-quinoxalinyl]-n1,n3,n3-trimethyl-1,3-propanediamine

Inchi
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
InChkey
PHOQVHQSTUBQQK-SQOUGZDYSA-N
Canonical Smiles
C(C1C(C(C(C(=O)O1)O)O)O)O
Properties
Density
1.197
Melting Point
160°C (dec.)(lit.)
Refractive Index
63.5 ° (C=10, H2O)
Alpha
65 o (C=1,H2O)
HS Code
2932999099
Safety and Handling
Risk Statements
R21
Safety Statements
S24/25
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Jungbunzlauer S.A. 2016
ROQUETTE ITALIA SPA 2012
Medichem S.A. 2017
more >
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

Computational chemical data
  • Molecular Weight:178.14000g/mol
  • Molecular Formula:C5H4BCL2NO2
  • Compound Is Canonicalized:True
  • Exact Mass:178.048
  • Monoisotopic Mass:178.048
  • Complexity:181
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:107A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:4
  • 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: AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAABgAI AACQCAIAAAAAAAAAAAFAAAABEBYAAAACQAAFIAADAAHKbARAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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