2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride

C12H14As2Cl2N2O2 — CID 8774

IUPAC2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride
SMILESCl.Cl.Nc1cc(/[As]=[As]/c2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C12H12As2N2O2.2ClH/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8;;/h1-6,17-18H,15-16H2;2*1H
InChIKeyVLAXZGHHBIJLAD-UHFFFAOYSA-N
MW439.01 g/mol
LogP0.38
Rot. Bonds2

About 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride

2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride (PubChem CID 8774) has the molecular formula C12H14As2Cl2N2O2 and a molecular weight of 439.01 g/mol. Its IUPAC name is 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride.

Molecular Properties

Compound Name2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride
PubChem CID8774
Molecular FormulaC12H14As2Cl2N2O2
Molecular Weight439.01 g/mol
Exact Mass437.89
IUPAC Name2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride
SMILESCl.Cl.Nc1cc(/[As]=[As]/c2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C12H12As2N2O2.2ClH/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8;;/h1-6,17-18H,15-16H2;2*1H
InChIKeyVLAXZGHHBIJLAD-UHFFFAOYSA-N
XLogP0.38
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.01
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Aminophenol
CID 5801
2,4-Diaminophenol hydrochloride
CID 8715
2,2'-Azobisphenol
CID 74902
Oxophenarsine
CID 10845
4,4'-Diarsene-1,2-diylbis(2-aminophenol)
CID 8775
4-Hydroxy-3-aminophenylarsonic acid
CID 16555
4,4'-(Diarsene-1,2-diyl)bis(2-aminophenol)--hydrogen chloride (1/1)
CID 459226
Neoarsphenamine
CID 76961391
Oxophenarsine hydrochloride
CID 10844
2-Aminophenol hydrochloride
CID 5800
Arsonous dichloride, As-(3-amino-4-hydroxyphenyl)-, hydrochloride (1:1)
CID 68301
2-Amino-4-fluorophenol
CID 2735917

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride?
The IUPAC name of 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride (CID 8774) is 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride.
What is the SMILES notation for 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride?
The canonical SMILES for 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride is Cl.Cl.Nc1cc(/[As]=[As]/c2ccc(O)c(N)c2)ccc1O.
What is the InChIKey of 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride?
The InChIKey is VLAXZGHHBIJLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12As2N2O2.2ClH/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8;;/h1-6,17-18H,15-16H2;2*1H.
What are the key properties of 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride?
2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride has a molecular weight of 439.01 g/mol, XLogP of 0.38, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol;dihydrochloride is sourced from PubChem (CID 8774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).