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Home> Hot Product Listed T   > T6585206
24386-17-2 structure

T6585206

Iupac Name:2-amino-4,5-bis(furan-2-yl)furan-3-carbonitrile
CAS No.:24386-17-2
Molecular Weight:240.218
Molecular Formula:C16H26N2O4S (isomer)
Names and Identifiers
Synonyms

MCULE-4561030418 MOLPORT-009-528-353 n-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyrazin-2-yl)piperazine-1-carboxamide Z230875812 ZINC44895127

Inchi
InChI=1S/C13H8N2O3/c14-7-8-11(9-3-1-5-16-9)12(18-13(8)15)10-4-2-6-17-10/h1-6H,15H2
InChkey
RDQSOEAGWZLHBE-UHFFFAOYSA-N
Canonical Smiles
C1=COC(=C1)C2=C(OC(=C2C#N)N)C3=CC=CO3
Properties
Melting Point
183-185°C
Vapour
0.105mmHg at 25°C
Refractive Index
1.648
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:240.218g/mol
  • Molecular Formula:C16H26N2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:240.053
  • Monoisotopic Mass:240.053
  • Complexity:353
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:89.2A^2
  • Heavy Atom Count:18
  • 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: AAADccBzMAAAAAAAAAAAAAAAAAAAASJEgAAAAAAAAAAAAAAB+AAAHgAQAAAADAShmAIwhIBABECY BqlS0AKiCAAsIAAIiAFGTMkNpzaMtZ+KOWDl4BEK6Y////zugAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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