Marvin  03060612222D          
    
  3  2  0  0  0  0            999 V2000
    0.0000    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <ID>
CHEBI:15862

> <NAME>
ethylamine

> <DEFINITION>
A two-carbon primary aliphatic amine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44361; CHEBI:4897; CHEBI:14228; CHEBI:23998

> <SYNONYM>
Ethylamine; ETHANAMINE; aminoethane; 1-aminoethane

> <IUPAC_NAME>
ethanamine

> <FORMULA>
C2H7N

> <MASS>
45.08370

> <MONOISOTOPIC_MASS>
45.05785

> <CHARGE>
0

> <SMILES>
CCN

> <INCHI>
InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3

> <INCHIKEY>
QUSNBJAOOMFDIB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
75-04-7

> <GMELIN_REGISTRY_NUMBER>
897

> <REAXYS_REGISTRY_NUMBER>
505933

> <CHEMIDPLUS>
75-04-7

> <KEGG_COMPOUND_ACCESSION>
C00797

> <METACYC_ACCESSION>
ETHANAMINE

> <NIST_CHEMISTRY_WEBBOOK>
75-04-7

> <PDBECHEM_ACCESSION>
NEH

> <WIKIPEDIA_ACCESSION>
Ethylamine

> <PUBMED_CITATION>
10930630; 11074065

$$$$