1-(diethylamino)ethanol;sulfuric acid

C6H17NO5S — CID 88696219

IUPAC1-(diethylamino)ethanol;sulfuric acid
SMILESCCN(CC)C(C)O.O=S(=O)(O)O
InChIInChI=1S/C6H15NO.H2O4S/c1-4-7(5-2)6(3)8;1-5(2,3)4/h6,8H,4-5H2,1-3H3;(H2,1,2,3,4)
InChIKeyVNXXJHSUPBDPSE-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.01
Rot. Bonds3

About 1-(diethylamino)ethanol;sulfuric acid

1-(diethylamino)ethanol;sulfuric acid (PubChem CID 88696219) has the molecular formula C6H17NO5S and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-(diethylamino)ethanol;sulfuric acid.

Molecular Properties

Compound Name1-(diethylamino)ethanol;sulfuric acid
PubChem CID88696219
Molecular FormulaC6H17NO5S
Molecular Weight215.27 g/mol
Exact Mass215.08
IUPAC Name1-(diethylamino)ethanol;sulfuric acid
SMILESCCN(CC)C(C)O.O=S(=O)(O)O
InChIInChI=1S/C6H15NO.H2O4S/c1-4-7(5-2)6(3)8;1-5(2,3)4/h6,8H,4-5H2,1-3H3;(H2,1,2,3,4)
InChIKeyVNXXJHSUPBDPSE-UHFFFAOYSA-N
XLogP0.01
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sulfuric acid;tetramethylphosphanium
CID 87132357
1-(diethylamino)ethanol;oxolane
CID 175105244
tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291
1-[2-(dimethylamino)propyl-ethylamino]ethanol
CID 174917779
1-(diethylamino)ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175908505
azane;propan-2-ol;sulfuric acid
CID 174667034
propane-1,2-diol;sulfuric acid
CID 87528272
propane-1,2-diol;sulfuric acid
CID 173459589
heptane;propan-2-ol;sulfuric acid
CID 87329461
sodium;N,N-diethylethanamine;hydride;sulfuric acid
CID 175161675
butan-2-ol;sulfurothioic O-acid
CID 175241517

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)ethanol;sulfuric acid?
The IUPAC name of 1-(diethylamino)ethanol;sulfuric acid (CID 88696219) is 1-(diethylamino)ethanol;sulfuric acid.
What is the SMILES notation for 1-(diethylamino)ethanol;sulfuric acid?
The canonical SMILES for 1-(diethylamino)ethanol;sulfuric acid is CCN(CC)C(C)O.O=S(=O)(O)O.
What is the InChIKey of 1-(diethylamino)ethanol;sulfuric acid?
The InChIKey is VNXXJHSUPBDPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.H2O4S/c1-4-7(5-2)6(3)8;1-5(2,3)4/h6,8H,4-5H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 1-(diethylamino)ethanol;sulfuric acid?
1-(diethylamino)ethanol;sulfuric acid has a molecular weight of 215.27 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethanol;sulfuric acid is sourced from PubChem (CID 88696219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).