zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride

C24H32Cl4N6O4Zn — CID 170853886

IUPACzinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride
SMILESCOc1cc(N2CCCC2)c(OC)cc1[N+]#N.COc1cc(N2CCCC2)c(OC)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/2C12H16N3O2.4ClH.Zn/c2*1-16-11-8-10(15-5-3-4-6-15)12(17-2)7-9(11)14-13;;;;;/h2*7-8H,3-6H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4
InChIKeyKARMBQQTBZAHPH-UHFFFAOYSA-J
MW675.76 g/mol
LogP-6.41
Rot. Bonds6

About zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride

zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride (PubChem CID 170853886) has the molecular formula C24H32Cl4N6O4Zn and a molecular weight of 675.76 g/mol. Its IUPAC name is zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride.

Molecular Properties

Compound Namezinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride
PubChem CID170853886
Molecular FormulaC24H32Cl4N6O4Zn
Molecular Weight675.76 g/mol
Exact Mass672.05
IUPAC Namezinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride
SMILESCOc1cc(N2CCCC2)c(OC)cc1[N+]#N.COc1cc(N2CCCC2)c(OC)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/2C12H16N3O2.4ClH.Zn/c2*1-16-11-8-10(15-5-3-4-6-15)12(17-2)7-9(11)14-13;;;;;/h2*7-8H,3-6H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4
InChIKeyKARMBQQTBZAHPH-UHFFFAOYSA-J
XLogP-6.41
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500675.76
LogP ≤ 5-6.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate
CID 20841699
bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 139664478
2,5-diethoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate
CID 21118152
5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride
CID 159987480
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
bis(5-butan-2-yloxy-2-methoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 88818752
(2R)-2-amino-2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 66516038
3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
CID 117446608
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
[1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine
CID 117469339
2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)ethanol
CID 77130562
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine
CID 117420098

Frequently Asked Questions

What is the IUPAC name of zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride?
The IUPAC name of zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride (CID 170853886) is zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride.
What is the SMILES notation for zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride?
The canonical SMILES for zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride is COc1cc(N2CCCC2)c(OC)cc1[N+]#N.COc1cc(N2CCCC2)c(OC)cc1[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride?
The InChIKey is KARMBQQTBZAHPH-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H16N3O2.4ClH.Zn/c2*1-16-11-8-10(15-5-3-4-6-15)12(17-2)7-9(11)14-13;;;;;/h2*7-8H,3-6H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4.
What are the key properties of zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride?
zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride has a molecular weight of 675.76 g/mol, XLogP of -6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(2,5-dimethoxy-4-pyrrolidin-1-ylbenzenediazonium);tetrachloride is sourced from PubChem (CID 170853886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).