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Home> Hot Product Listed 1   > 1,4-Dioxa-8-azaspiro[4.6]undecane
65997-17-3 structure

1,4-Dioxa-8-azaspiro[4.6]undecane

Iupac Name:calcium;sodium;phosphate
CAS No.:65997-17-3
Molecular Weight:158.038
Molecular Formula:C12H9FN2O (isomer)
Names and Identifiers
Synonyms

1,4-DIOXA-8-AZA-SPIRO[4.6]UNDECANE

Inchi
InChI=1S/Ca.Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+2;+1;/p-3
InChkey
QXJJQWWVWRCVQT-UHFFFAOYSA-K
Canonical Smiles
[O-]P(=O)([O-])[O-].[Na+].[Ca+2]
Properties
Melting Point
680 °C
Safety and Handling
Risk Statements
36/37/38
Safety Statements
S26;S36
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 INDIVIDUAL 0_10 view >
FULL JOINT 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
SCHOTT AG 2013
Lauscha Fiber International GmbH 2016
Whatman International Ltd 2015
more >
Computational chemical data
  • Molecular Weight:158.038g/mol
  • Molecular Formula:C12H9FN2O
  • Compound Is Canonicalized:True
  • Exact Mass:157.906
  • Monoisotopic Mass:157.906
  • Complexity:36.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:86.2A^2
  • Heavy Atom Count:7
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcQAAOCIAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAABAA QAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-571-88938639
  • Fax:
  • Tel:+86-371- 55366292
  • Fax:
  • Tel:0086-21-50563169
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