Cas no 3370-97-6 (nonanedioic acid dibutyl ester)

nonanedioic acid dibutyl ester structure
3370-97-6 structure
Product Name:nonanedioic acid dibutyl ester
CAS No:3370-97-6
MF:C17H32O4
MW:300.433586120605
CID:84719
PubChem ID:18016
Update Time:2025-04-18

nonanedioic acid dibutyl ester Chemical and Physical Properties

Names and Identifiers

    • nonanedioic acid dibutyl ester
    • 2,1,5-Sulfonic
    • 2917-73-9
    • NSC 93294
    • DTXCID3024815
    • NSC93294
    • DTXSID5044815
    • Dibutyl nonanedioate
    • NCGC00256129-01
    • CAS-2917-73-9
    • Nonanedioic acid, 1,9-dibutyl ester
    • AO-181/25113027
    • 1,9-dibutyl nonanedioate
    • Di-n-butyl azelate
    • Dibutyl azelaate
    • NS00028649
    • DIBUTYL AZELATE
    • dibutyl azelaate, AldrichCPR
    • 1,9-DI-N-BUTYL NONANEDIOATE [HSDB]
    • EINECS 220-850-8
    • Ergoplast AZDB
    • Q27290265
    • Azelaic acid, dibutyl ester
    • SCHEMBL116797
    • nonanedioicaciddibutylester
    • TSR57315NK
    • 1,9-Di-n-butyl nonanedioate
    • CHEMBL3182086
    • RISLXYINQFKFRL-UHFFFAOYSA-N
    • HSDB 5904
    • Dibutyl azelaate #
    • Tox21_301270
    • Nonanedioic acid, dibutyl ester
    • AI3-01982
    • UNII-TSR57315NK
    • NSC-93294
    • NCIOpen2_005806
    • 3370-97-6
    • Inchi: 1S/C17H32O4/c1-3-5-14-20-16(18)12-10-8-7-9-11-13-17(19)21-15-6-4-2/h3-15H2,1-2H3
    • InChI Key: RISLXYINQFKFRL-UHFFFAOYSA-N
    • SMILES: O(CCCC)C(CCCCCCCC(=O)OCCCC)=O

Computed Properties

  • Exact Mass: 300.23000
  • Monoisotopic Mass: 300.23005950g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 16
  • Complexity: 238
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.7
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.60000
  • LogP: 4.40370
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