2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid

C7H20NO6P — CID 160646043

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid
SMILESCP(=O)(O)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.CH5O3P/c8-4-1-7(2-5-9)3-6-10;1-5(2,3)4/h8-10H,1-6H2;1H3,(H2,2,3,4)
InChIKeyRJUJRIRWCJCIFD-UHFFFAOYSA-N
MW245.21 g/mol
LogP-1.94
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid

2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid (PubChem CID 160646043) has the molecular formula C7H20NO6P and a molecular weight of 245.21 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid
PubChem CID160646043
Molecular FormulaC7H20NO6P
Molecular Weight245.21 g/mol
Exact Mass245.10
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid
SMILESCP(=O)(O)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.CH5O3P/c8-4-1-7(2-5-9)3-6-10;1-5(2,3)4/h8-10H,1-6H2;1H3,(H2,2,3,4)
InChIKeyRJUJRIRWCJCIFD-UHFFFAOYSA-N
XLogP-1.94
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate
CID 17722
Phosphoric acid triethanolamine salt
CID 61430
(((2-Hydroxyethyl)imino)dimethylene)diphosphonic acid
CID 80101
P,P'-[[[2-[(2-Hydroxyethyl)(phosphonomethyl)amino]ethyl]imino]bis(methylene)]bis[phosphonic acid]
CID 9908179
(1-Hydroxyethylidene)bisphosphonic acid, compound with 2,2',2''-nitrilotris(ethanol) (1:1)
CID 44150568
Choline dihydrogen phosphate
CID 150067
Cholin Dimethylphosphat
CID 87076875
2-Hydroxyethyl-dimethyl-[(oxo-lambda5-phosphanylidyne)methyl]azanium
CID 67723810
(Nitrilotris(methylene))trisphosphonic acid, compound with 2,2',2''-nitrilotris(ethanol)
CID 44147653
(1R)-(1-hydroxy-2-trimethylamino)ethylphosphonate
CID 146037292
(2R)-2-hydroxy-N,N,N-trimethyl-2-phosphonoethan-1-aminium
CID 137347774
2-[Ethoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 11499466

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid (CID 160646043) is 2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid is CP(=O)(O)O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid?
The InChIKey is RJUJRIRWCJCIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.CH5O3P/c8-4-1-7(2-5-9)3-6-10;1-5(2,3)4/h8-10H,1-6H2;1H3,(H2,2,3,4).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid?
2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid has a molecular weight of 245.21 g/mol, XLogP of -1.94, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid is sourced from PubChem (CID 160646043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).