Marvin  09120717412D          

 12 11  0  0  0  0            999 V2000
    2.1434   -0.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1375    0.0000 N   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
   -1.4289    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    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
    2.1434   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
  7  2  1  0  0  0  0
  4  2  1  0  0  0  0
 10  2  1  0  0  0  0
  5  3  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
  5  4  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
> <ID>
CHEBI:39475

> <NAME>
pentamethyldiethylenetriamine

> <STAR>
3

> <SYNONYM>
PMDT; pmdien; pentamethyldiethylenetriamine; N-(2-(dimethylamino)ethyl)-N,N',N'-trimethyl-1,2-ethanediamine; N,N,N',N',N''-pentamethyldiethylenetriamine; N,N,N',N'',N''-pentamethyldiethylenetriamine; N,N',N''-pentamethyldiethylenetriamine; bis(2-dimethylaminoethyl)(methyl)amine; 2,5,8-trimethyl-2,5,8-triazanonane; 2,2'-(methylazanediyl)bis(N,N-dimethylethanamine); 1,1,4,7,7-pentamethyldiethylenetriamine

> <IUPAC_NAME>
N-[2-(dimethylamino)ethyl]-N,N',N'-trimethylethane-1,2-diamine

> <FORMULA>
C9H23N3

> <MASS>
173.29914

> <MONOISOTOPIC_MASS>
173.18920

> <CHARGE>
0

> <SMILES>
CN(C)CCN(C)CCN(C)C

> <INCHI>
InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3

> <INCHIKEY>
UKODFQOELJFMII-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1741396

> <CAS_REGISTRY_NUMBER>
3030-47-5

> <GMELIN_REGISTRY_NUMBER>
27747

> <CHEMIDPLUS>
3030-47-5

$$$$