Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed F   > F5860-2279
3051-09-0 structure

F5860-2279

Iupac Name:azanium;2,4-dioxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1H-pyrimidin-6-olate
CAS No.:3051-09-0
Molecular Weight:284.18600
Molecular Formula:C20H18N4O2 (isomer)
Names and Identifiers
Synonyms

1-(4-(furan-2-carbonyl)piperazin-1-yl)-2-(1h-indol-1-yl)ethanone AKOS024525332 MCULE-4482568116 MOLPORT-009-746-667 VU0526181-1 ZINC38490465

Inchi
InChI=1S/C8H5N5O6.H3N/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17;/h(H2,10,11,14,15,18)(H3,12,13,16,17,19);1H3
InChkey
LJYRLGOJYKPILZ-UHFFFAOYSA-N
Canonical Smiles
C1(=C(NC(=O)NC1=O)[O-])N=C2C(=O)NC(=O)NC2=O.[NH4+]
Properties
Melting Point
300 °C
HS Code
29335995
Safety and Handling
Risk Statements
R22
Safety Statements
S24/25; S22; S36/37
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:284.18600g/mol
  • Molecular Formula:C20H18N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:284.051
  • Monoisotopic Mass:284.051
  • Complexity:508
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:170A^2
  • Heavy Atom Count:20
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccBzuAAAAAAAAAAAAAAAAAAAAAAAAAAsQAAAAAAAAAAAAAAADgAQAAAACAgBgAABAALAAACo AQVwVACAAAAAIAAAAAGAAEGAQAgIQAAUAAAIBSIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-574-89212210
  • Fax:86-574-89212215
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-22-82826443
  • Fax:86-22-82826443
  • Tel:86-27-85736489
  • Fax:86-27-85736485
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-574-89212210
  • Fax:86-574-89212215
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-22-82826443
  • Fax:86-22-82826443
  • Tel:86-27-85736489
  • Fax:86-27-85736485
 
<