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Home> Hot Product Listed 3   > 39307-15-8
68413-60-5 structure

39307-15-8

Iupac Name:azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron;hydrate
CAS No.:68413-60-5
Molecular Weight:400.166
Molecular Formula:C4H8O (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H16N2O8.Fe.2H3N.H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;2*1H3;1H2
InChkey
GZLHLOLUCGQEIP-UHFFFAOYSA-N
Canonical Smiles
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.N.N.O.[Fe]
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 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Akzo Nobel Functional Chemicals BV 2012
more >
Computational chemical data
  • Molecular Weight:400.166g/mol
  • Molecular Formula:C4H8O
  • Compound Is Canonicalized:True
  • Exact Mass:400.089
  • Monoisotopic Mass:400.089
  • Complexity:359
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:7
  • Hydrogen Bond Acceptor Count:13
  • Topological Polar Surface Area:159A^2
  • Heavy Atom Count:24
  • 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: AAADceBzvAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAHgAQCAAAAADBgAQACAMAAgAI AACQCAAAAAAAAAAAAACIAAACQAAAACAQAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-20-18102838259
  • Fax:86-0755-23229476
  • Tel:+86-371- 55366292
  • Fax:
  • Tel:+86-28-8525 1605
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+1-510-219-6317
  • Fax:+1-510-675-0318
 
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