ChEBI


  4  3  0  0  0  0  0  0  0  0  1 V2000
    6.1843  -17.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3361  -18.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0324  -18.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879  -17.7738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
M  END
> <ID>
CHEBI:30347

> <NAME>
ethylenediamine

> <DEFINITION>
An alkane-α,ω-diamine in which the alkane is ethane.

> <STAR>
3

> <SYNONYM>
ethylenediamine; en; 1,2-ethanediamine

> <IUPAC_NAME>
ethane-1,2-diamine

> <FORMULA>
C2H8N2

> <MASS>
60.09840

> <MONOISOTOPIC_MASS>
60.06875

> <CHARGE>
0

> <SMILES>
NCCN

> <INCHI>
InChI=1S/C2H8N2/c3-1-2-4/h1-4H2

> <INCHIKEY>
PIICEJLVQHRZGT-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
605263

> <CAS_REGISTRY_NUMBER>
107-15-3

> <GMELIN_REGISTRY_NUMBER>
1098

> <REAXYS_REGISTRY_NUMBER>
605263

> <CHEMIDPLUS>
107-15-3

> <KEGG_DRUG_ACCESSION>
D01114

> <METACYC_ACCESSION>
CPD-3682

> <NIST_CHEMISTRY_WEBBOOK>
107-15-3

> <PDBECHEM_ACCESSION>
EDN

> <WIKIPEDIA_ACCESSION>
Ethylenediamine

> <PUBMED_CITATION>
21616561; 3692019; 7070713

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