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ethylenediamine-N,N'-disuccinic acid structure
ethylenediamine-N,N'-disuccinic acid structure

ethylenediamine-N,N'-disuccinic acid

Iupac Name:furan-2-ylmethanamine
CAS No.:617-89-0
Molecular Weight:97.117
1. Names and Identifiers
1.1 Name
ethylenediamine-N,N'-disuccinic acid
1.2 Synonyms

- disuccinic acid 2-[2-(1,2-Dicarboxy-ethylamino)-ethylamino]-succinic acid EDDS ethylene diamine disuccinic acid ethylene diamine N,N' ethylenediamine disuccinic acid ethylenediaminedisuccinic acid ethylenediamine-N,N′-disuccinic acid

1.3 CAS No.
617-89-0
1.4 CID
3438
1.5 Molecular Formula
C10H14O7 (isomer)
1.6 Inchi
InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
1.7 InChkey
DDRPCXLAQZKBJP-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=COC(=C1)CN
1.9 Isomers Smiles
C1=COC(=C1)CN
2. Properties
3.1 Melting Point
-70℃
3.2 Vapour
4 mm Hg ( 20 °C)
3.3 Refractive Index
1.489-1.491
3. Safety and Handling
4.1 Risk Statements
R10;R20/21/22;R34
4.2 Safety Statements
S16;S23;S26;S36/37/39;S45
4.3 HazardClass
3
4.3 PackingGroup
III
4.4 Transport
200kgs
4. 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

5. Computational chemical data
  • Molecular Weight:97.117g/mol
  • Molecular Formula:C10H14O7
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:97.052763847
  • Monoisotopic Mass:97.052763847
  • Complexity:56
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:39.2
  • 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:1
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