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Home> Hot Product Listed P   > Pyrrolidinium,1-(3-methoxy-3-oxopropyl)-1-methyl-, iodide (1:1)
13266-82-5 structure

Pyrrolidinium,1-(3-methoxy-3-oxopropyl)-1-methyl-, iodide (1:1)

Iupac Name:oxalate;yttrium(3+)
CAS No.:13266-82-5
EINECS(EC#): 302-096-2
Molecular Weight:441.866
Molecular Formula:C8H7NO3 (isomer)
Names and Identifiers
Synonyms

1-(2-Carboxyethyl)-1-methylpyrrolidiniumiodide, methyl ester (6CI,7CI) Pyrrolidinium, 1-(2-carboxyethyl)-1-methyl-,iodide, methyl ester (8CI)

Inchi
InChI=1S/3C2H2O4.2Y/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
InChkey
IBSDADOZMZEYKD-UHFFFAOYSA-H
Canonical Smiles
C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Y+3].[Y+3]
Properties
Melting Point
decomposes [AES93]
Vapour
2.51E-06mmHg at 25°C
Flash Point
°C
Safety and Handling
Risk Statements
36/37/38
Safety Statements
S26;S36/37/39
HazardClass
6.1
PackingGroup
III
Transport
UN3288
Reach Info
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:441.866g/mol
  • Molecular Formula:C8H7NO3
  • Compound Is Canonicalized:True
  • Exact Mass:441.751
  • Monoisotopic Mass:441.751
  • Complexity:60.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:241A^2
  • Heavy Atom Count:20
  • 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: AAADcQBgPAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACgAAAAAAAAAAgAAACAAAAAAI AACQCAIAAAAAAAAAAABAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:+86-10-61566641
  • Fax:+86-10-61561674
  • Tel:+86-571-88025872, 28272092, 28272096
  • Fax:
  • Tel:+7-(8312)-75-37-72
  • Fax:+7-(8312)-75-07-99
  • Tel:86-312-5958026
  • Fax:86-0312-5958026
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+86-512-68326260
  • Fax:
  • Tel:+1-(949)-362-1746
  • Fax:+1-(949)-362-1810
  • Tel:+86-21-50456736
  • Fax:+86-21-60853441
  • Tel:+1-(909)-859-9052
  • Fax:+1-(775)-551-9052
 
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