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Home> Hot Product Listed A   > AKOS027393135
57219-64-4 structure

AKOS027393135

Iupac Name:hydrogen carbonate;zirconium(4+)
CAS No.:57219-64-4
Molecular Weight:335.288
Molecular Formula:C14H18FNO2 (isomer)
Names and Identifiers
Synonyms

1-(tert-butoxycarbonyl)-4-(3-methoxybenzyl)piperidine-4-carboxylic acid 1-(tert-butoxycarbonyl)-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid AK427690 ZINC35571469

Inchi
InChI=1S/4CH2O3.Zr/c4*2-1(3)4;/h4*(H2,2,3,4);/q;;;;+4/p-4
InChkey
BSZKBMAGLBURDO-UHFFFAOYSA-J
Canonical Smiles
C(=O)(O)[O-].C(=O)(O)[O-].C(=O)(O)[O-].C(=O)(O)[O-].[Zr+4]
Properties
Melting Point
135 oC (dec.)
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  
FULL JOINT 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2013
Imerys Fused Minerals Villach GmbH_OR_IFM-YI 2013
Magnesium Elektron Limited 2015
more >
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:335.288g/mol
  • Molecular Formula:C14H18FNO2
  • Compound Is Canonicalized:True
  • Exact Mass:333.875
  • Monoisotopic Mass:333.875
  • Complexity:24.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:241A^2
  • Heavy Atom Count:17
  • 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:5
  • CACTVS Substructure Key Fingerprint: AAADcYBgPAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAACAAAAAAAAAAACAAAAgAI AAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
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