Oleic acid, sulfated, ammonium salt
PubChem CID
138401413
Structure
Molecular Formula
Synonyms
- Oleic acid, sulfated, ammonium salt
- 68735-97-7
- DTXSID70988427
- NS00130428
- 9-(Sulfooxy)octadecanoic acid--ammonia (1/1)
Molecular Weight
397.6 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Component Compounds
Dates
- Create:2019-06-20
- Modify:2025-01-18
Chemical Structure Depiction
Conformer generation is disallowed since too flexible, mixture or salt
azane;9-sulfooxyoctadecanoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C18H36O6S.H3N/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);1H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
FKUMJGPWPOMMPD-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)O.N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C18H39NO6S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
68735-97-7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
397.6 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
18
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
397.24980914 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
397.24980914 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
110 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
26
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
416
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.04.19)
Liquid
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Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Aggregated Product Volume
2018: <1,000,000 lb
2017: <1,000,000 lb
2016: <1,000,000 lb
EPA TSCA Commercial Activity Status
Octadecanoic acid, 9(or 10)-(sulfooxy)-, ammonium salt (1:?): ACTIVE
The Australian Inventory of Industrial Chemicals
Chemical: Octadecanoic acid, 9(or 10)-(sulfooxy)-, ammonium salt
- Australian Industrial Chemicals Introduction Scheme (AICIS)Octadecanoic acid, 9(or 10)-(sulfooxy)-, ammonium salthttps://services.industrialchemicals.gov.au/search-inventory/
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Octadecanoic acid, 9(or 10)-(sulfooxy)-, ammonium salt (1:?)https://commonchemistry.cas.org/detail?cas_rn=68735-97-7
- EPA Chemical Data Reporting (CDR)LICENSEThe U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce these documents, or allow others to do so, for U.S. Government purposes. These documents may be freely distributed and used for non-commercial, scientific and educational purposes.https://www.epa.gov/web-policies-and-procedures/epa-disclaimers#copyrightOctadecanoic acid, 9(or 10)-(sulfooxy)-, ammonium salt (1:?)https://www.epa.gov/chemical-data-reporting
- EPA Chemicals under the TSCAOctadecanoic acid, 9(or 10)-(sulfooxy)-, ammonium salt (1:?)https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSTox9-(Sulfooxy)octadecanoic acid--ammonia (1/1)https://comptox.epa.gov/dashboard/DTXSID70988427CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice9(or 10)-(sulphooxy)octadecanoic acid, ammonium salthttps://echa.europa.eu/substance-information/-/substanceinfo/100.065.536
- Wikidata9-(Sulfooxy)octadecanoic acid--ammonia (1/1)https://www.wikidata.org/wiki/Q82976956
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
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