zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride

C10H14Cl3N3OZn — CID 91997517

IUPACzinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
SMILESCCN(CCO)c1ccc([N+]#N)cc1.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C10H14N3O.3ClH.Zn/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;;;;/h3-6,14H,2,7-8H2,1H3;3*1H;/q+1;;;;+2/p-3
InChIKeyFOZURDCUSZRTCY-UHFFFAOYSA-K
MW363.99 g/mol
LogP-7.00
Rot. Bonds4

About zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride

zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride (PubChem CID 91997517) has the molecular formula C10H14Cl3N3OZn and a molecular weight of 363.99 g/mol. Its IUPAC name is zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride.

Molecular Properties

Compound Namezinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
PubChem CID91997517
Molecular FormulaC10H14Cl3N3OZn
Molecular Weight363.99 g/mol
Exact Mass360.95
IUPAC Namezinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
SMILESCCN(CCO)c1ccc([N+]#N)cc1.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C10H14N3O.3ClH.Zn/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;;;;/h3-6,14H,2,7-8H2,1H3;3*1H;/q+1;;;;+2/p-3
InChIKeyFOZURDCUSZRTCY-UHFFFAOYSA-K
XLogP-7.00
TPSA51.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.99
LogP ≤ 5-7.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(diethylamino)benzenediazonium;methane
CID 66524102
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
4-(diethylamino)benzenediazonium ditetrafluoroborate
CID 88803254
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 60981592
2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride
CID 70452511
4-[ethyl(2-hydroxyethyl)amino]benzenecarboximidamide
CID 60980240
2-[N-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]ethanol
CID 22734616
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
1-(diaminomethylidene)-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]guanidine
CID 168605994

Frequently Asked Questions

What is the IUPAC name of zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride?
The IUPAC name of zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride (CID 91997517) is zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride.
What is the SMILES notation for zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride?
The canonical SMILES for zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride is CCN(CCO)c1ccc([N+]#N)cc1.[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride?
The InChIKey is FOZURDCUSZRTCY-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H14N3O.3ClH.Zn/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;;;;/h3-6,14H,2,7-8H2,1H3;3*1H;/q+1;;;;+2/p-3.
What are the key properties of zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride?
zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride has a molecular weight of 363.99 g/mol, XLogP of -7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride is sourced from PubChem (CID 91997517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).