tetrakis(2-aminoethanol);phosphoric acid;hydrochloride

C8H32ClN4O8P — CID 174414439

IUPACtetrakis(2-aminoethanol);phosphoric acid;hydrochloride
SMILESCl.NCCO.NCCO.NCCO.NCCO.O=P(O)(O)O
InChIInChI=1S/4C2H7NO.ClH.H3O4P/c4*3-1-2-4;;1-5(2,3)4/h4*4H,1-3H2;1H;(H3,1,2,3,4)
InChIKeyKTNNXHRHYNAILF-UHFFFAOYSA-N
MW378.79 g/mol
LogP-4.76
Rot. Bonds4

About tetrakis(2-aminoethanol);phosphoric acid;hydrochloride

tetrakis(2-aminoethanol);phosphoric acid;hydrochloride (PubChem CID 174414439) has the molecular formula C8H32ClN4O8P and a molecular weight of 378.79 g/mol. Its IUPAC name is tetrakis(2-aminoethanol);phosphoric acid;hydrochloride.

Molecular Properties

Compound Nametetrakis(2-aminoethanol);phosphoric acid;hydrochloride
PubChem CID174414439
Molecular FormulaC8H32ClN4O8P
Molecular Weight378.79 g/mol
Exact Mass378.16
IUPAC Nametetrakis(2-aminoethanol);phosphoric acid;hydrochloride
SMILESCl.NCCO.NCCO.NCCO.NCCO.O=P(O)(O)O
InChIInChI=1S/4C2H7NO.ClH.H3O4P/c4*3-1-2-4;;1-5(2,3)4/h4*4H,1-3H2;1H;(H3,1,2,3,4)
InChIKeyKTNNXHRHYNAILF-UHFFFAOYSA-N
XLogP-4.76
TPSA262.76 Ų
H-Bond Donors11
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.79
LogP ≤ 5-4.76
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethanol;phosphane;phosphoric acid
CID 174583262
2-aminoethanol;phosphoric acid;zinc
CID 126749483
2-aminoethanol;hydrogen phosphate;iron(2+)
CID 87771609
2-amino(113C)ethanol;hydrochloride
CID 13000307
CID 88757249
CID 88757249
2-aminoethanol;iron(3+);phosphate
CID 87771610
2-(15N)azanylethanol
CID 10329242
2-aminoethanol
CID 159229127
2-aminoethanol
CID 87375731
azane;ethane-1,2-diol;phosphoric acid
CID 174794036
2-(2-aminoethylamino)ethanol;phosphoric acid
CID 88523857
CID 162010675
CID 162010675

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-aminoethanol);phosphoric acid;hydrochloride?
The IUPAC name of tetrakis(2-aminoethanol);phosphoric acid;hydrochloride (CID 174414439) is tetrakis(2-aminoethanol);phosphoric acid;hydrochloride.
What is the SMILES notation for tetrakis(2-aminoethanol);phosphoric acid;hydrochloride?
The canonical SMILES for tetrakis(2-aminoethanol);phosphoric acid;hydrochloride is Cl.NCCO.NCCO.NCCO.NCCO.O=P(O)(O)O.
What is the InChIKey of tetrakis(2-aminoethanol);phosphoric acid;hydrochloride?
The InChIKey is KTNNXHRHYNAILF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H7NO.ClH.H3O4P/c4*3-1-2-4;;1-5(2,3)4/h4*4H,1-3H2;1H;(H3,1,2,3,4).
What are the key properties of tetrakis(2-aminoethanol);phosphoric acid;hydrochloride?
tetrakis(2-aminoethanol);phosphoric acid;hydrochloride has a molecular weight of 378.79 g/mol, XLogP of -4.76, 4 rotatable bonds, 11 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-aminoethanol);phosphoric acid;hydrochloride is sourced from PubChem (CID 174414439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).