Marvin  09130709032D          

 10  9  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <ID>
CHEBI:30631

> <NAME>
tris(2-aminoethyl)amine

> <STAR>
3

> <SYNONYM>
tris(2-aminoethyl)amine; tren; N,N-bis(2-aminoethyl)-1,2-ethanediamine; 2,2',2''-triaminotriethylamine

> <IUPAC_NAME>
N,N-bis(2-aminoethyl)ethane-1,2-diamine

> <FORMULA>
C6H18N4

> <MASS>
146.23408

> <MONOISOTOPIC_MASS>
146.15315

> <CHARGE>
0

> <SMILES>
NCCN(CCN)CCN

> <INCHI>
InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2

> <INCHIKEY>
MBYLVOKEDDQJDY-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1739626

> <CAS_REGISTRY_NUMBER>
4097-89-6

> <GMELIN_REGISTRY_NUMBER>
27074

> <CHEMIDPLUS>
4097-89-6

> <NIST_CHEMISTRY_WEBBOOK>
4097-89-6

$$$$