Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6803321
36505-84-7 structure

T6803321

Iupac Name:8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CAS No.:36505-84-7
Molecular Weight:385.512
Molecular Formula:C19H14CL2F3N3O4 (isomer)
Names and Identifiers
Synonyms

MCULE-2634781052 MOLPORT-009-581-365 n-(6-methoxypyridin-3-yl)-1,3-dimethyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-sulfonamide Z960238036 ZINC50530666

Inchi
InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
InChkey
QWCRAEMEVRGPNT-UHFFFAOYSA-N
Canonical Smiles
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4
Properties
Melting Point
2-8°C
Safety and Handling
Risk Statements
R25
Safety Statements
45
Transport
UN 2811 6
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  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Excella GmbH & Co. KG 2017
more >
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:385.512g/mol
  • Molecular Formula:C19H14CL2F3N3O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.6
  • Exact Mass:385.248
  • Monoisotopic Mass:385.248
  • Complexity:529
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:69.6A^2
  • Heavy Atom Count:28
  • 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: AAADceB7sAAAAAAAAAAAAAAAAAAAAYAAAAAsWLAAAAAAAAABgAAAHgAAAAAADgDBkgQ9kJcIEACo ADF3dACAgCkRAqAJUCE4ZBCASJJAyUAUBAgIBiLAACEYiwCPAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-0571-28006833
  • Fax:0086-571-28006267
  • Tel:+86-25- 84679300
  • Fax:+86-25- 84270111
  • Tel:+86-0531-58966870
  • Fax:
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-0571-28006833
  • Fax:0086-571-28006267
  • Tel:+86-25- 84679300
  • Fax:+86-25- 84270111
  • Tel:+86-0531-58966870
  • Fax:
 
<