2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid

C6H18NO6P — CID 19082538

IUPAC2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
SMILESCCN(CCO)CCO.O=P(O)(O)O
InChIInChI=1S/C6H15NO2.H3O4P/c1-2-7(3-5-8)4-6-9;1-5(2,3)4/h8-9H,2-6H2,1H3;(H3,1,2,3,4)
InChIKeyLUWVKYMYFUDIPU-UHFFFAOYSA-N
MW231.18 g/mol
LogP-1.64
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid

2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid (PubChem CID 19082538) has the molecular formula C6H18NO6P and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
PubChem CID19082538
Molecular FormulaC6H18NO6P
Molecular Weight231.18 g/mol
Exact Mass231.09
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
SMILESCCN(CCO)CCO.O=P(O)(O)O
InChIInChI=1S/C6H15NO2.H3O4P/c1-2-7(3-5-8)4-6-9;1-5(2,3)4/h8-9H,2-6H2,1H3;(H3,1,2,3,4)
InChIKeyLUWVKYMYFUDIPU-UHFFFAOYSA-N
XLogP-1.64
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 5-1.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid
CID 19968816
2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid
CID 160646043
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
CID 174894072
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride
CID 159789530
bis(2-(diethylamino)ethanol);bis(iodocopper(1+))
CID 6397704
2-(diethylamino)ethanol;N,N-dimethylethanamine
CID 158783617
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-(2-hydroxyethylamino)ethanol
CID 159800308
2-[2-chloroethyl(ethyl)amino]ethanol;hydrochloride
CID 24837985

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid (CID 19082538) is 2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid is CCN(CCO)CCO.O=P(O)(O)O.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid?
The InChIKey is LUWVKYMYFUDIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.H3O4P/c1-2-7(3-5-8)4-6-9;1-5(2,3)4/h8-9H,2-6H2,1H3;(H3,1,2,3,4).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid?
2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid has a molecular weight of 231.18 g/mol, XLogP of -1.64, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid is sourced from PubChem (CID 19082538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).