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Home> Hot Product Listed N   > N,N'-1,2-PHENYLENE BIS [1,3-DIHYDRO-ALFA,ALFA-DIMETHYL 1,3-DIOXO-2H-ISOINDOLE-2-ACETAMIDE
57-48-7 structure

N,N'-1,2-PHENYLENE BIS [1,3-DIHYDRO-ALFA,ALFA-DIMETHYL 1,3-DIOXO-2H-ISOINDOLE-2-ACETAMIDE

Iupac Name:(2R,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CAS No.:57-48-7
Molecular Weight:180.156
Molecular Formula:C22H24NO3P (isomer)
Names and Identifiers
Synonyms

2-(1,3-dioxoisoindol-2-yl)-n-{2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropanamido]phenyl}-2-methylpropanamide AC-14171 acm401846080 DTXSID70622132 HE071359 HE341261 n,n'-(1,2-phenylene)bis[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-2-methylpropanamide] n,n'-1,2-phenylenebis[1,3-dihydro-alfa,alfa-dimethyl1,3-dioxo-2h-isoindole-2-acetamide SCHEMBL5706501

Inchi
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChkey
LKDRXBCSQODPBY-ARQDHWQXSA-N
Canonical Smiles
C1C(C(C(C(O1)(CO)O)O)O)O
Isomers Smiles
C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O
Properties
Melting Point
100 - 110ºC
Boiling Point
484°C at 760 mmHg
Refractive Index
1.5101 (108 C)
Flash Point
132.13°C
Alpha
-92.25 º (c=10,H2O,on dry sub.)
HS Code
17025000
Safety and Handling
Risk Statements
34
Safety Statements
S24/25
Transport
White Cyrstalline Solid
Reach Info
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:180.156g/mol
  • Molecular Formula:C22H24NO3P
  • Compound Is Canonicalized:True
  • Exact Mass:180.063
  • Monoisotopic Mass:180.063
  • Complexity:162
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:110A^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: AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAABgAA AAAAAAAAAAAAAAAAAAAAAAAREAIAAAACQAAFAAAHAAHAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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