bis(hydroxymethyl)-dimethylazanium hydroxide

C4H13NO3 — CID 21313544

IUPACbis(hydroxymethyl)-dimethylazanium hydroxide
SMILESC[N+](C)(CO)CO.[OH-]
InChIInChI=1S/C4H12NO2.H2O/c1-5(2,3-6)4-7;/h6-7H,3-4H2,1-2H3;1H2/q+1;/p-1
InChIKeyQUARIDLWRAODPY-UHFFFAOYSA-M
MW123.15 g/mol
LogP-1.21
Rot. Bonds2

About bis(hydroxymethyl)-dimethylazanium hydroxide

bis(hydroxymethyl)-dimethylazanium hydroxide (PubChem CID 21313544) has the molecular formula C4H13NO3 and a molecular weight of 123.15 g/mol. Its IUPAC name is bis(hydroxymethyl)-dimethylazanium hydroxide.

Molecular Properties

Compound Namebis(hydroxymethyl)-dimethylazanium hydroxide
PubChem CID21313544
Molecular FormulaC4H13NO3
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Namebis(hydroxymethyl)-dimethylazanium hydroxide
SMILESC[N+](C)(CO)CO.[OH-]
InChIInChI=1S/C4H12NO2.H2O/c1-5(2,3-6)4-7;/h6-7H,3-4H2,1-2H3;1H2/q+1;/p-1
InChIKeyQUARIDLWRAODPY-UHFFFAOYSA-M
XLogP-1.21
TPSA70.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(hydroxymethyl)-dimethylazanium hydroxide?
The IUPAC name of bis(hydroxymethyl)-dimethylazanium hydroxide (CID 21313544) is bis(hydroxymethyl)-dimethylazanium hydroxide.
What is the SMILES notation for bis(hydroxymethyl)-dimethylazanium hydroxide?
The canonical SMILES for bis(hydroxymethyl)-dimethylazanium hydroxide is C[N+](C)(CO)CO.[OH-].
What is the InChIKey of bis(hydroxymethyl)-dimethylazanium hydroxide?
The InChIKey is QUARIDLWRAODPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12NO2.H2O/c1-5(2,3-6)4-7;/h6-7H,3-4H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of bis(hydroxymethyl)-dimethylazanium hydroxide?
bis(hydroxymethyl)-dimethylazanium hydroxide has a molecular weight of 123.15 g/mol, XLogP of -1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxymethyl)-dimethylazanium hydroxide is sourced from PubChem (CID 21313544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).