zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride

C9H12Cl4N3Zn- — CID 170844651

IUPACzinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride
SMILESCCNc1ccc([N+]#N)cc1C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C9H12N3.4ClH.Zn/c1-3-11-9-5-4-8(12-10)6-7(9)2;;;;;/h4-6,11H,3H2,1-2H3;4*1H;/q+1;;;;;+2/p-4
InChIKeyPAMFZRWQTWXBNM-UHFFFAOYSA-J
MW369.42 g/mol
LogP-9.08
Rot. Bonds2

About zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride

zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride (PubChem CID 170844651) has the molecular formula C9H12Cl4N3Zn- and a molecular weight of 369.42 g/mol. Its IUPAC name is zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride.

Molecular Properties

Compound Namezinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride
PubChem CID170844651
Molecular FormulaC9H12Cl4N3Zn-
Molecular Weight369.42 g/mol
Exact Mass365.91
IUPAC Namezinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride
SMILESCCNc1ccc([N+]#N)cc1C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C9H12N3.4ClH.Zn/c1-3-11-9-5-4-8(12-10)6-7(9)2;;;;;/h4-6,11H,3H2,1-2H3;4*1H;/q+1;;;;;+2/p-4
InChIKeyPAMFZRWQTWXBNM-UHFFFAOYSA-J
XLogP-9.08
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 5-9.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride?
The IUPAC name of zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride (CID 170844651) is zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride.
What is the SMILES notation for zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride?
The canonical SMILES for zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride is CCNc1ccc([N+]#N)cc1C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride?
The InChIKey is PAMFZRWQTWXBNM-UHFFFAOYSA-J. The full InChI is InChI=1S/C9H12N3.4ClH.Zn/c1-3-11-9-5-4-8(12-10)6-7(9)2;;;;;/h4-6,11H,3H2,1-2H3;4*1H;/q+1;;;;;+2/p-4.
What are the key properties of zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride?
zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride has a molecular weight of 369.42 g/mol, XLogP of -9.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4-(ethylamino)-3-methylbenzenediazonium;tetrachloride is sourced from PubChem (CID 170844651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).