sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate

C8H11AsNNaO4 — CID 23712046

IUPACsodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate
SMILESO=[As]([O-])(O)c1ccc(NCCO)cc1.[Na+]
InChIInChI=1S/C8H12AsNO4.Na/c11-6-5-10-8-3-1-7(2-4-8)9(12,13)14;/h1-4,10-11H,5-6H2,(H2,12,13,14);/q;+1/p-1
InChIKeySDKYSWHEELVPTF-UHFFFAOYSA-M
MW283.09 g/mol
LogP-4.98
Rot. Bonds4

About sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate

sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate (PubChem CID 23712046) has the molecular formula C8H11AsNNaO4 and a molecular weight of 283.09 g/mol. Its IUPAC name is sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate.

Molecular Properties

Compound Namesodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate
PubChem CID23712046
Molecular FormulaC8H11AsNNaO4
Molecular Weight283.09 g/mol
Exact Mass282.98
IUPAC Namesodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate
SMILESO=[As]([O-])(O)c1ccc(NCCO)cc1.[Na+]
InChIInChI=1S/C8H12AsNO4.Na/c11-6-5-10-8-3-1-7(2-4-8)9(12,13)14;/h1-4,10-11H,5-6H2,(H2,12,13,14);/q;+1/p-1
InChIKeySDKYSWHEELVPTF-UHFFFAOYSA-M
XLogP-4.98
TPSA92.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 5-4.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroxyethylamino)benzenediazonium;zinc;dichloride
CID 159862843
1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione
CID 70882599
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
2-anilinoethanol;dichlorocopper
CID 174762840
2-anilinoethanol;1,3-dihydroxypropan-2-one
CID 67927731
2-(4-benzylanilino)ethanol
CID 91561467
2-(4-prop-2-enylsulfanylanilino)ethanol
CID 70456918
3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol
CID 140636475
[4-(nitrosomethylamino)phenyl]arsonic acid
CID 154210771
potassium;2-anilinoethanol;sulfuric acid;hydroxide
CID 67587133
2-(4-diazenylanilino)ethanol
CID 24884299
2-(4-propan-2-ylsulfanylanilino)ethanol
CID 96671487

Frequently Asked Questions

What is the IUPAC name of sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate?
The IUPAC name of sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate (CID 23712046) is sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate.
What is the SMILES notation for sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate?
The canonical SMILES for sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate is O=[As]([O-])(O)c1ccc(NCCO)cc1.[Na+].
What is the InChIKey of sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate?
The InChIKey is SDKYSWHEELVPTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12AsNO4.Na/c11-6-5-10-8-3-1-7(2-4-8)9(12,13)14;/h1-4,10-11H,5-6H2,(H2,12,13,14);/q;+1/p-1.
What are the key properties of sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate?
sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate has a molecular weight of 283.09 g/mol, XLogP of -4.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy-[4-(2-hydroxyethylamino)phenyl]arsinate is sourced from PubChem (CID 23712046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).