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Substance Name: 1,2-Benzenedicarboxylic acid, dibutyl ester, reaction products with acrylonitrile, 1,3-benzenedimethanamine and 2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-dipropanamine
RN: 68908-89-4
InChIKey: SZNALVABDDXHMZ-UHFFFAOYSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C16-H22-O4.C13-H26-N2-O4.C8-H12-N2.C3-H3-N

Molecular Weight

  • 741.9647
 
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Names and Synonyms

Synonym

  • 3,9-Bis(3-aminopropyl)-2,4,8,10-tetroxaspiro(5.5)undecane, acrylonitrile, m-xylylenediamine, dibutyl phthalate adduct

Systematic Name

  • 1,2-Benzenedicarboxylic acid, dibutyl ester, reaction products with acrylonitrile, 1,3-benzenedimethanamine and 2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-dipropanamine

Registry Numbers

CAS Registry Number

  • 68908-89-4

System Generated Number

  • 0068908894

Molecular Formulas

Molecular Formula

  • C16-H22-O4.C13-H26-N2-O4.C8-H12-N2.C3-H3-N

Molecular Formula Fragments

  • C13-H26-N2-O4
  • C16-H22-O4
  • C3-H3-N
  • C8-H12-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22O4.C13H26N2O4.C8H12N2.C3H3N/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2;14-5-1-3-11-16-7-13(8-17-11)9-18-12(19-10-13)4-2-6-15;9-5-7-2-1-3-8(4-7)6-10;1-2-3-4/h7-10H,3-6,11-12H2,1-2H3;11-12H,1-10,14-15H2;1-4H,5-6,9-10H2;2H,1H2

InChIKey

SZNALVABDDXHMZ-UHFFFAOYSA-N

Smiles

CCCCOC(=O)c1ccccc1C(=O)OCCCC.C=CC#N.c1cc(cc(c1)CN)CN.C1C2(COC(O1)CCCN)COC(OC2)CCCN