4-(2-aminoethyl)benzene-1,2-diol;nickel

C8H11NNiO2 — CID 175198518

IUPAC4-(2-aminoethyl)benzene-1,2-diol;nickel
SMILESNCCc1ccc(O)c(O)c1.[Ni]
InChIInChI=1S/C8H11NO2.Ni/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;
InChIKeyUTPAXCKTRJEGLM-UHFFFAOYSA-N
MW211.87 g/mol
LogP0.60
Rot. Bonds2

About 4-(2-aminoethyl)benzene-1,2-diol;nickel

4-(2-aminoethyl)benzene-1,2-diol;nickel (PubChem CID 175198518) has the molecular formula C8H11NNiO2 and a molecular weight of 211.87 g/mol. Its IUPAC name is 4-(2-aminoethyl)benzene-1,2-diol;nickel.

Molecular Properties

Compound Name4-(2-aminoethyl)benzene-1,2-diol;nickel
PubChem CID175198518
Molecular FormulaC8H11NNiO2
Molecular Weight211.87 g/mol
Exact Mass211.01
IUPAC Name4-(2-aminoethyl)benzene-1,2-diol;nickel
SMILESNCCc1ccc(O)c(O)c1.[Ni]
InChIInChI=1S/C8H11NO2.Ni/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;
InChIKeyUTPAXCKTRJEGLM-UHFFFAOYSA-N
XLogP0.60
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.87
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

CID 159860777
CID 159860777
4-(2-aminoethyl)benzene-1,2-diol;methane
CID 175755753
strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride
CID 174942711
4-(2-aminoethyl)benzene-1,2-diol;piperazine
CID 174812852
4-[2-(tritioamino)ethyl]benzene-1,2-diol
CID 54417146
4-(2-aminoethyl)benzene-1,2-diol;2-hydroxyethyl(trimethyl)azanium
CID 174847471
4-(2-amino-2,2-dideuterioethyl)benzene-1,2-diol;hydrochloride
CID 90477542
4-(2-aminoethyl)-2-(aminomethyl)phenol
CID 105433039
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
4-(2-aminoethyl)benzene-1,2-diol;ethane-1,2-diol;prop-2-enoic acid
CID 174886468
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
4-(2-aminoethyl)benzene-1,2-diol;N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enamide
CID 175123795

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)benzene-1,2-diol;nickel?
The IUPAC name of 4-(2-aminoethyl)benzene-1,2-diol;nickel (CID 175198518) is 4-(2-aminoethyl)benzene-1,2-diol;nickel.
What is the SMILES notation for 4-(2-aminoethyl)benzene-1,2-diol;nickel?
The canonical SMILES for 4-(2-aminoethyl)benzene-1,2-diol;nickel is NCCc1ccc(O)c(O)c1.[Ni].
What is the InChIKey of 4-(2-aminoethyl)benzene-1,2-diol;nickel?
The InChIKey is UTPAXCKTRJEGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.Ni/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;.
What are the key properties of 4-(2-aminoethyl)benzene-1,2-diol;nickel?
4-(2-aminoethyl)benzene-1,2-diol;nickel has a molecular weight of 211.87 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)benzene-1,2-diol;nickel is sourced from PubChem (CID 175198518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).