Marvin  03170609482D          

  4  3  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
M  END
> <ID>
CHEBI:42820

> <NAME>
guanidine

> <DEFINITION>
An aminocarboxamidine, the parent compound of the guanidines.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42816; CHEBI:24435

> <SYNONYM>
iminourea; H2N-C(=NH)-NH2; GUANIDINE; guanidin; Gu; aminomethanamidine

> <IUPAC_NAME>
guanidine

> <FORMULA>
CH5N3

> <MASS>
59.07062

> <MONOISOTOPIC_MASS>
59.04835

> <CHARGE>
0

> <SMILES>
NC(N)=N

> <INCHI>
InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)

> <INCHIKEY>
ZRALSGWEFCBTJO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
506044

> <CAS_REGISTRY_NUMBER>
113-00-8

> <GMELIN_REGISTRY_NUMBER>
100679

> <REAXYS_REGISTRY_NUMBER>
506044

> <CHEMIDPLUS>
113-00-8

> <DRUGBANK_ACCESSION>
DB00536

> <NIST_CHEMISTRY_WEBBOOK>
113-00-8

> <PDBECHEM_ACCESSION>
GAI

> <WIKIPEDIA_ACCESSION>
Guanidine

> <PUBMED_CITATION>
8070089

$$$$