N,N,N-Trimethyldodecan-1-aminium formate
PubChem CID
20437104
Structure
Molecular Formula
Synonyms
- 100859-15-2
- N,N,N-Trimethyldodecan-1-aminium formate
- SCHEMBL558268
- lauryl trimethyl ammonium formate
- DTXSID10607120
Molecular Weight
273.45 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Component Compounds
Dates
- Create:2007-12-05
- Modify:2024-12-14
Chemical Structure Depiction
3D Conformer of Parent
dodecyl(trimethyl)azanium;formate
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C15H34N.CH2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;2-1-3/h5-15H2,1-4H3;1H,(H,2,3)/q+1;/p-1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
HZLYVUIWOZITJF-UHFFFAOYSA-M
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCCCCCCCCCCC[N+](C)(C)C.C(=O)[O-]
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C16H35NO2
Computed by PubChem 2.1 (PubChem release 2019.06.18)
100859-15-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
273.45 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
11
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
273.266779359 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
273.266779359 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
40.1Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
142
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, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=HZLYVUIWOZITJF-UHFFFAOYSA-M
- EPA DSSToxN,N,N-Trimethyldodecan-1-aminium formatehttps://comptox.epa.gov/dashboard/DTXSID10607120CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Springer Nature
- WikidataN,N,N-Trimethyldodecan-1-aminium formatehttps://www.wikidata.org/wiki/Q82506074
- PubChem
- PATENTSCOPE (WIPO)SID 403501569https://pubchem.ncbi.nlm.nih.gov/substance/403501569
CONTENTS