phosphoric acid;trimethyl(undecyl)azanium

C14H35NO4P+ — CID 175157190

IUPACphosphoric acid;trimethyl(undecyl)azanium
SMILESCCCCCCCCCCC[N+](C)(C)C.O=P(O)(O)O
InChIInChI=1S/C14H32N.H3O4P/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;1-5(2,3)4/h5-14H2,1-4H3;(H3,1,2,3,4)/q+1;
InChIKeyFYGVIZKPQRUHEO-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.29
Rot. Bonds10

About phosphoric acid;trimethyl(undecyl)azanium

phosphoric acid;trimethyl(undecyl)azanium (PubChem CID 175157190) has the molecular formula C14H35NO4P+ and a molecular weight of 312.41 g/mol. Its IUPAC name is phosphoric acid;trimethyl(undecyl)azanium.

Molecular Properties

Compound Namephosphoric acid;trimethyl(undecyl)azanium
PubChem CID175157190
Molecular FormulaC14H35NO4P+
Molecular Weight312.41 g/mol
Exact Mass312.23
IUPAC Namephosphoric acid;trimethyl(undecyl)azanium
SMILESCCCCCCCCCCC[N+](C)(C)C.O=P(O)(O)O
InChIInChI=1S/C14H32N.H3O4P/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;1-5(2,3)4/h5-14H2,1-4H3;(H3,1,2,3,4)/q+1;
InChIKeyFYGVIZKPQRUHEO-UHFFFAOYSA-N
XLogP3.29
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dihydrogen phosphate;trimethyl(octadecyl)azanium
CID 90034262
butyl(trimethyl)azanium;phosphoric acid
CID 175165471
tris(trimethyl(undecyl)azanium);phosphate
CID 175157194
tris(decyl(trimethyl)azanium);phosphate
CID 141403839
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
hexadecyl(trimethyl)azanium;methanol;bromide
CID 160928079
trimethyl(octyl)azanium chloride
CID 24949
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
trimethyl(pentacontyl)azanium bromide
CID 118223247
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;trimethyl(undecyl)azanium?
The IUPAC name of phosphoric acid;trimethyl(undecyl)azanium (CID 175157190) is phosphoric acid;trimethyl(undecyl)azanium.
What is the SMILES notation for phosphoric acid;trimethyl(undecyl)azanium?
The canonical SMILES for phosphoric acid;trimethyl(undecyl)azanium is CCCCCCCCCCC[N+](C)(C)C.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;trimethyl(undecyl)azanium?
The InChIKey is FYGVIZKPQRUHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N.H3O4P/c1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;1-5(2,3)4/h5-14H2,1-4H3;(H3,1,2,3,4)/q+1;.
What are the key properties of phosphoric acid;trimethyl(undecyl)azanium?
phosphoric acid;trimethyl(undecyl)azanium has a molecular weight of 312.41 g/mol, XLogP of 3.29, 10 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;trimethyl(undecyl)azanium is sourced from PubChem (CID 175157190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).