Ketcher 07031715032D 1   1.00000     0.00000     0

 37 36  0     0  0            999 V2000
   12.7719   -4.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6510   -4.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9194   -4.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6777   -3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9461   -3.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8252   -2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5977   -6.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4767   -5.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7452   -5.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5034   -4.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5843   -7.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4437   -7.8173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3293   -6.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9070   -7.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9070   -8.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7731   -7.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7731   -9.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6392   -7.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6392   -8.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1748   -7.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1748   -8.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0409   -7.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0409   -9.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3030   -7.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3086   -9.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6924  -10.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8331  -10.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6790  -11.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9604  -10.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063  -12.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9470  -11.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5784   -9.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7191   -8.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5651  -10.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8464   -9.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4436   -8.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7324   -7.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  9  7  1  0     0  0
 10  8  1  0     0  0
  1  9  1  0     0  0
  2 10  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
  8 13  1  0     0  0
 16 14  1  0     0  0
 17 15  1  0     0  0
 18 16  1  0     0  0
 19 17  1  0     0  0
 19 18  1  0     0  0
 22 20  1  0     0  0
 23 21  1  0     0  0
 14 22  1  0     0  0
 15 23  1  0     0  0
 20 24  1  0     0  0
 24 12  1  0     0  0
 21 25  1  0     0  0
 28 26  1  0     0  0
 29 27  1  0     0  0
 30 28  1  0     0  0
 31 29  1  0     0  0
 31 30  1  0     0  0
 34 32  1  0     0  0
 35 33  1  0     0  0
 26 34  1  0     0  0
 27 35  1  0     0  0
 32 36  1  0     0  0
 36 12  1  0     0  0
 33 37  1  0     0  0
M  END
> <ID>
CHEBI:134485

> <NAME>
tridodecylamine

> <DEFINITION>
A tertiary amine consisting of three dodecyl groups attached to a central nitrogen.

> <STAR>
3

> <SYNONYM>
Trilaurylamine; Tridodecyl amine; Tri-n-dodecylamine; N,N-Didodceyl-1-dodecanamine

> <IUPAC_NAME>
N,N-didodecyldodecan-1-amine

> <FORMULA>
C36H75N

> <MASS>
521.989

> <MONOISOTOPIC_MASS>
521.58995

> <CHARGE>
0

> <SMILES>
C(CCCCCCCC)CCCN(CCCCCCCCCCCC)CCCCCCCCCCCC

> <INCHI>
InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3

> <INCHIKEY>
SWZDQOUHBYYPJD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
102-87-4

> <REAXYS_REGISTRY_NUMBER>
1801669

> <CHEMIDPLUS>
102-87-4

> <NIST_CHEMISTRY_WEBBOOK>
102-87-4

> <PUBMED_CITATION>
17803280; 20633891; 20687577; 23493922; 27723332; 27739307

$$$$