Ammonium dodecyl hydrogen phosphate
PubChem CID
103253
Structure
Molecular Formula
- C12H27O4P.H3N
- C12H30NO4P
Synonyms
- Ammonium dodecyl hydrogen phosphate
- 65138-76-3
- DTXSID00215455
- EINECS 265-505-2
- SCHEMBL833477
Molecular Weight
283.34 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Component Compounds
Dates
- Create:2005-08-08
- Modify:2025-01-18
Chemical Structure Depiction
3D Conformer of Parent
azane;dodecyl dihydrogen phosphate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C12H27O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);1H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
HLBZVTBNCQMIBO-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCCCCCCOP(=O)(O)O.N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H27O4P.H3N
C12H30NO4P
Computed by PubChem 2.1 (PubChem release 2019.06.18)
65138-76-3
Compound: Phosphoric acid, monododecyl ester, monoammonium salt
Compound: Phosphoric acid, monododecyl ester, ammonium salt (1:2)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
283.34 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
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
12
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
283.19124544 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
283.19124544 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
67.8 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
203
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
0
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 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
The Australian Inventory of Industrial Chemicals
Chemical: Phosphoric acid, monododecyl ester, monoammonium salt
- Australian Industrial Chemicals Introduction Scheme (AICIS)Phosphoric acid, monododecyl ester, monoammonium salthttps://services.industrialchemicals.gov.au/search-inventory/
- ChemIDplusAmmonium dodecyl hydrogen phosphatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0065138763ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxAmmonium dodecyl hydrogen phosphatehttps://comptox.epa.gov/dashboard/DTXSID00215455CompTox 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-noticeAmmonium dodecyl hydrogen phosphatehttps://echa.europa.eu/substance-information/-/substanceinfo/100.059.533
- 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/Phosphoric acid, monododecyl ester, monoammonium salthttps://commonchemistry.cas.org/detail?cas_rn=65138-76-3Phosphoric acid, monododecyl ester, ammonium salt (1:2)https://commonchemistry.cas.org/detail?cas_rn=65138-75-2
- WikidataAmmonium dodecyl hydrogen phosphatehttps://www.wikidata.org/wiki/Q83091506
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS