Ketcher 01102312482D 1   1.00000     0.00000     0

 13 12  0     1  0            999 V2000
    7.1962    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0623    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0     0  0
  1 10  1  0     0  0
  2 13  1  0     0  0
  3  4  1  0     0  0
  3  5  1  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  5  9  1  0     0  0
  7  8  1  0     0  0
  8 11  1  0     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
M  END
> <ID>
CHEBI:194207

> <NAME>
3-(2-ethylhexoxy)propan-1-amine

> <DEFINITION>
A primary aliphatic amine that is 3-aminopropan-1-ol in which the hydroxy group is replaced by a (2-ethylhexyl)oxy group.

> <STAR>
3

> <SYNONYM>
PA-12EH; PA 12EH; n-propanolamine 2-ethylhexyl ether; 3-aminopropyl 2-ethylhexyl ether; 3-[(2-ethylhexyl)oxy]-1-propanamine; 3-(2-ethylhexyloxy)propylamine; 3-(2-ethylhexyloxy)-propylamine; 3-(2-ethylhexyloxy)-1-propanamine; 3-(2-ethylhexoxy)propylamine; 3-((2-ethylhexyl)oxy)propylamine; 2-ethylhexyl 3-aminopropyl ether

> <IUPAC_NAME>
3-[(2-ethylhexyl)oxy]propan-1-amine

> <FORMULA>
C11H25NO

> <MASS>
187.327

> <MONOISOTOPIC_MASS>
187.19361

> <CHARGE>
0

> <SMILES>
CCCCC(CC)COCCCN

> <INCHI>
InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3

> <INCHIKEY>
DVFGEIYOLIFSRX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5397-31-9

> <REAXYS_REGISTRY_NUMBER>
1740535

> <NIST_CHEMISTRY_WEBBOOK>
5397-31-9

> <PUBMED_CITATION>
36237735

$$$$