ethanolate;trimethyl(phenyl)azanium

C11H19NO — CID 12512092

IUPACethanolate;trimethyl(phenyl)azanium
SMILESCC[O-].C[N+](C)(C)c1ccccc1
InChIInChI=1S/C9H14N.C2H5O/c1-10(2,3)9-7-5-4-6-8-9;1-2-3/h4-8H,1-3H3;2H2,1H3/q+1;-1
InChIKeyZMGDXJGLGYNTSM-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.25
Rot. Bonds1

About ethanolate;trimethyl(phenyl)azanium

ethanolate;trimethyl(phenyl)azanium (PubChem CID 12512092) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethanolate;trimethyl(phenyl)azanium.

Molecular Properties

Compound Nameethanolate;trimethyl(phenyl)azanium
PubChem CID12512092
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethanolate;trimethyl(phenyl)azanium
SMILESCC[O-].C[N+](C)(C)c1ccccc1
InChIInChI=1S/C9H14N.C2H5O/c1-10(2,3)9-7-5-4-6-8-9;1-2-3/h4-8H,1-3H3;2H2,1H3/q+1;-1
InChIKeyZMGDXJGLGYNTSM-UHFFFAOYSA-N
XLogP1.25
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
trimethyl(phenyl)azanium fluoride
CID 15787908
propanoate;trimethyl(phenyl)azanium
CID 70571170
fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)
CID 66672523
trimethyl(phenyl)azanium permanganate
CID 134811481
chloroalumane;trimethyl(phenyl)azanium;chloride
CID 173074857
oxalate;bis(trimethyl(phenyl)azanium)
CID 66900184
azane;trimethyl(phenyl)azanium;hexafluorophosphate
CID 175267450
benzyl(triethyl)azanium;trimethyl(phenyl)azanium
CID 158940719
tetraphenylboranuide;trimethyl(phenyl)azanium
CID 12504234
benzyl(trimethyl)azanium;trimethyl(phenyl)azanium;dihydroxide
CID 172808382
dodecan-1-ol;trimethyl(phenyl)azanium;chloride
CID 158872413

Frequently Asked Questions

What is the IUPAC name of ethanolate;trimethyl(phenyl)azanium?
The IUPAC name of ethanolate;trimethyl(phenyl)azanium (CID 12512092) is ethanolate;trimethyl(phenyl)azanium.
What is the SMILES notation for ethanolate;trimethyl(phenyl)azanium?
The canonical SMILES for ethanolate;trimethyl(phenyl)azanium is CC[O-].C[N+](C)(C)c1ccccc1.
What is the InChIKey of ethanolate;trimethyl(phenyl)azanium?
The InChIKey is ZMGDXJGLGYNTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N.C2H5O/c1-10(2,3)9-7-5-4-6-8-9;1-2-3/h4-8H,1-3H3;2H2,1H3/q+1;-1.
What are the key properties of ethanolate;trimethyl(phenyl)azanium?
ethanolate;trimethyl(phenyl)azanium has a molecular weight of 181.28 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;trimethyl(phenyl)azanium is sourced from PubChem (CID 12512092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).