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Home> Hot Product Listed M   > MCULE-8947016286
56329-42-1 structure

MCULE-8947016286

Iupac Name:zinc 2-amino-4-methylsulfanylbutanoic acid sulfate
CAS No.:56329-42-1
Molecular Weight:310.68294
Molecular Formula:C11H15BRN2O (isomer)
Names and Identifiers
Synonyms

[(1-ethylpyrrolidin-2-yl)methyl]({[3-(thiophen-2-yl)-1h-pyrazol-4-yl]methyl})amine MOLPORT-030-006-397 Z211324546

Inchi
InChI=1/C5H11NO2S.H2O4S.Zn/c1-9-3-2-4(6)5(7)8;1-5(2,3)4;/h4H,2-3,6H2,1H3,(H,7,8);(H2,1,2,3,4);/q;;+2/p-2
Canonical Smiles
CSCCC(C(=O)O)N.[O-]S(=O)(=O)[O-].[Zn+2]
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 56329-42-1 EC: MCULE-8947016286 ·ECHA C&L Inventory for CAS: CAS: 56329-42-1 EC: MCULE-8947016286
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

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:310.68294g/mol
  • Molecular Formula:C11H15BRN2O
  • Exact Mass:308.931925
  • Monoisotopic Mass:308.931925
  • Complexity:159
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:177
  • Heavy Atom Count:15
  • 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:3
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