trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate

C10H23N2Na3O8 — CID 172795947

IUPACtrisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].NCCNCCO.O.[Na+].[Na+].[Na+]
InChIInChI=1S/C4H12N2O.3C2H4O2.3Na.H2O/c5-1-2-6-3-4-7;3*1-2(3)4;;;;/h6-7H,1-5H2;3*1H3,(H,3,4);;;;1H2/q;;;;3*+1;/p-3
InChIKeyQEXQYHCJWRCKRM-UHFFFAOYSA-K
MW368.27 g/mol
LogP-15.02
Rot. Bonds4

About trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate

trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate (PubChem CID 172795947) has the molecular formula C10H23N2Na3O8 and a molecular weight of 368.27 g/mol. Its IUPAC name is trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate.

Molecular Properties

Compound Nametrisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate
PubChem CID172795947
Molecular FormulaC10H23N2Na3O8
Molecular Weight368.27 g/mol
Exact Mass368.11
IUPAC Nametrisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].NCCNCCO.O.[Na+].[Na+].[Na+]
InChIInChI=1S/C4H12N2O.3C2H4O2.3Na.H2O/c5-1-2-6-3-4-7;3*1-2(3)4;;;;/h6-7H,1-5H2;3*1H3,(H,3,4);;;;1H2/q;;;;3*+1;/p-3
InChIKeyQEXQYHCJWRCKRM-UHFFFAOYSA-K
XLogP-15.02
TPSA210.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 5-15.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylamino)ethanol;tris(triethylazanium);triacetate
CID 158624766
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
pentacalcium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);decaacetate
CID 173203921
N'-(2-aminoethyl)ethane-1,2-diamine;cobalt(2+);acetate
CID 23344028
2-(2-aminoethylamino)ethanol;oxalate;silver
CID 88784741
CID 173081890
CID 173081890
azanium;N'-(2-aminoethyl)ethane-1,2-diamine;iron(4+);pentaacetate
CID 157360906
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;gadolinium(3+);triacetate
CID 158309087
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;iron(3+);triacetate
CID 172701648
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961

Frequently Asked Questions

What is the IUPAC name of trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate?
The IUPAC name of trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate (CID 172795947) is trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate.
What is the SMILES notation for trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate?
The canonical SMILES for trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].NCCNCCO.O.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate?
The InChIKey is QEXQYHCJWRCKRM-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H12N2O.3C2H4O2.3Na.H2O/c5-1-2-6-3-4-7;3*1-2(3)4;;;;/h6-7H,1-5H2;3*1H3,(H,3,4);;;;1H2/q;;;;3*+1;/p-3.
What are the key properties of trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate?
trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate has a molecular weight of 368.27 g/mol, XLogP of -15.02, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-(2-aminoethylamino)ethanol;triacetate;hydrate is sourced from PubChem (CID 172795947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).