2-(dimethylamino)ethanol;sulfuric acid

C4H13NO5S — CID 11557415

IUPAC2-(dimethylamino)ethanol;sulfuric acid
SMILESCN(C)CCO.O=S(=O)(O)O
InChIInChI=1S/C4H11NO.H2O4S/c1-5(2)3-4-6;1-5(2,3)4/h6H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKeyLGKCYLDREYULOR-UHFFFAOYSA-N
MW187.22 g/mol
LogP-1.11
Rot. Bonds2

About 2-(dimethylamino)ethanol;sulfuric acid

2-(dimethylamino)ethanol;sulfuric acid (PubChem CID 11557415) has the molecular formula C4H13NO5S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;sulfuric acid.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;sulfuric acid
PubChem CID11557415
Molecular FormulaC4H13NO5S
Molecular Weight187.22 g/mol
Exact Mass187.05
IUPAC Name2-(dimethylamino)ethanol;sulfuric acid
SMILESCN(C)CCO.O=S(=O)(O)O
InChIInChI=1S/C4H11NO.H2O4S/c1-5(2)3-4-6;1-5(2,3)4/h6H,3-4H2,1-2H3;(H2,1,2,3,4)
InChIKeyLGKCYLDREYULOR-UHFFFAOYSA-N
XLogP-1.11
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;sulfuric acid?
The IUPAC name of 2-(dimethylamino)ethanol;sulfuric acid (CID 11557415) is 2-(dimethylamino)ethanol;sulfuric acid.
What is the SMILES notation for 2-(dimethylamino)ethanol;sulfuric acid?
The canonical SMILES for 2-(dimethylamino)ethanol;sulfuric acid is CN(C)CCO.O=S(=O)(O)O.
What is the InChIKey of 2-(dimethylamino)ethanol;sulfuric acid?
The InChIKey is LGKCYLDREYULOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.H2O4S/c1-5(2)3-4-6;1-5(2,3)4/h6H,3-4H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 2-(dimethylamino)ethanol;sulfuric acid?
2-(dimethylamino)ethanol;sulfuric acid has a molecular weight of 187.22 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;sulfuric acid is sourced from PubChem (CID 11557415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).