2-(2-aminoethylamino)ethanol;phosphoric acid

C4H15N2O5P — CID 88523857

IUPAC2-(2-aminoethylamino)ethanol;phosphoric acid
SMILESNCCNCCO.O=P(O)(O)O
InChIInChI=1S/C4H12N2O.H3O4P/c5-1-2-6-3-4-7;1-5(2,3)4/h6-7H,1-5H2;(H3,1,2,3,4)
InChIKeyQGZDDUKIFYOGMH-UHFFFAOYSA-N
MW202.15 g/mol
LogP-2.40
Rot. Bonds4

About 2-(2-aminoethylamino)ethanol;phosphoric acid

2-(2-aminoethylamino)ethanol;phosphoric acid (PubChem CID 88523857) has the molecular formula C4H15N2O5P and a molecular weight of 202.15 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethanol;phosphoric acid.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethanol;phosphoric acid
PubChem CID88523857
Molecular FormulaC4H15N2O5P
Molecular Weight202.15 g/mol
Exact Mass202.07
IUPAC Name2-(2-aminoethylamino)ethanol;phosphoric acid
SMILESNCCNCCO.O=P(O)(O)O
InChIInChI=1S/C4H12N2O.H3O4P/c5-1-2-6-3-4-7;1-5(2,3)4/h6-7H,1-5H2;(H3,1,2,3,4)
InChIKeyQGZDDUKIFYOGMH-UHFFFAOYSA-N
XLogP-2.40
TPSA136.04 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.15
LogP ≤ 5-2.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;methylphosphonic acid
CID 162177359
2-(2-aminoethylamino)ethanol;oxalate;silver
CID 88784741
CID 173081890
CID 173081890
2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol
CID 88701366
tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
CID 76711756
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
CID 161491174
trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate
CID 172795947
pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
CID 175158292
tetrakis(2-aminoethanol);phosphoric acid;hydrochloride
CID 174414439

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)ethanol;phosphoric acid?
The IUPAC name of 2-(2-aminoethylamino)ethanol;phosphoric acid (CID 88523857) is 2-(2-aminoethylamino)ethanol;phosphoric acid.
What is the SMILES notation for 2-(2-aminoethylamino)ethanol;phosphoric acid?
The canonical SMILES for 2-(2-aminoethylamino)ethanol;phosphoric acid is NCCNCCO.O=P(O)(O)O.
What is the InChIKey of 2-(2-aminoethylamino)ethanol;phosphoric acid?
The InChIKey is QGZDDUKIFYOGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O.H3O4P/c5-1-2-6-3-4-7;1-5(2,3)4/h6-7H,1-5H2;(H3,1,2,3,4).
What are the key properties of 2-(2-aminoethylamino)ethanol;phosphoric acid?
2-(2-aminoethylamino)ethanol;phosphoric acid has a molecular weight of 202.15 g/mol, XLogP of -2.40, 4 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethanol;phosphoric acid is sourced from PubChem (CID 88523857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).