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Home> Hot Product Listed S   > STK352832
107667-60-7 structure

STK352832

Iupac Name:zinc;2-(3-aminopropanoylamino)-3-imidazol-1-id-4-ylpropanoate
CAS No.:107667-60-7
Molecular Weight:289.6
Molecular Formula:C18H29N3O4S2 (isomer)
Names and Identifiers
Synonyms

6-chloro-2-(2-methylpropyl)-4-(trifluoromethyl)-2h-pyrazolo[3,4-b]pyridine 6-chloro-2-isobutyl-4-(trifluoromethyl)-2h-pyrazolo[3,4-b]pyridine AK430379 AKOS005168565 en300-231875 MOLPORT-004-853-457 SBB025901 ZINC12398108

Inchi
InChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/q;+2/p-2
InChkey
IGXZLYMCFZHNKW-UHFFFAOYSA-L
Canonical Smiles
C1=C(N=C[N-]1)CC(C(=O)[O-])NC(=O)CCN.[Zn+2]
Properties
Melting Point
300 ºC
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 107667-60-7 EC: STK352832 ·ECHA C&L Inventory for CAS: CAS: 107667-60-7 EC: STK352832
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:289.6g/mol
  • Molecular Formula:C18H29N3O4S2
  • Compound Is Canonicalized:True
  • Exact Mass:288.02
  • Monoisotopic Mass:288.02
  • Complexity:254
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:109A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBzsAAAAAACAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAQAAAACCjBlgQtmBbIEACo ARX3fAAAgC0xEqABUIG4cAiCaBpA2SGUAAAMlgLQQCC8EQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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