Marvin  09120717222D          

 13 12  0  0  0  0            999 V2000
    3.5724    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
 13  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <ID>
CHEBI:45718

> <NAME>
3,3,3-tetramine

> <DEFINITION>
A polyazaalkane consisting of a 13-membered straight chain alkane with aza-groups at the 1-, 5-, 9- and 13-positions.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45715; CHEBI:30349

> <SYNONYM>
norspermine; N,N'-bis(3-aminopropyl)-1,3-propanediamine; 3,3,3-tet; 1,5,9,13-tetraazatridecane

> <IUPAC_NAME>
N,N'-bis(3-aminopropyl)propane-1,3-diamine

> <FORMULA>
C9H24N4

> <MASS>
188.31382

> <MONOISOTOPIC_MASS>
188.20010

> <CHARGE>
0

> <SMILES>
NCCCNCCCNCCCN

> <INCHI>
InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2

> <INCHIKEY>
ZAXCZCOUDLENMH-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1747474

> <CAS_REGISTRY_NUMBER>
4605-14-5

> <GMELIN_REGISTRY_NUMBER>
28050

> <CHEMIDPLUS>
4605-14-5

> <NIST_CHEMISTRY_WEBBOOK>
4605-14-5

$$$$