zinc;2-(diethylamino)benzenediazonium;trichloride

C10H14Cl3N3Zn — CID 21446527

IUPACzinc;2-(diethylamino)benzenediazonium;trichloride
SMILESCCN(CC)c1ccccc1[N+]#N.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C10H14N3.3ClH.Zn/c1-3-13(4-2)10-8-6-5-7-9(10)12-11;;;;/h5-8H,3-4H2,1-2H3;3*1H;/q+1;;;;+2/p-3
InChIKeyQNRWHSWBTMOCME-UHFFFAOYSA-K
MW347.99 g/mol
LogP-5.97
Rot. Bonds3

About zinc;2-(diethylamino)benzenediazonium;trichloride

zinc;2-(diethylamino)benzenediazonium;trichloride (PubChem CID 21446527) has the molecular formula C10H14Cl3N3Zn and a molecular weight of 347.99 g/mol. Its IUPAC name is zinc;2-(diethylamino)benzenediazonium;trichloride.

Molecular Properties

Compound Namezinc;2-(diethylamino)benzenediazonium;trichloride
PubChem CID21446527
Molecular FormulaC10H14Cl3N3Zn
Molecular Weight347.99 g/mol
Exact Mass344.95
IUPAC Namezinc;2-(diethylamino)benzenediazonium;trichloride
SMILESCCN(CC)c1ccccc1[N+]#N.[Cl-].[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C10H14N3.3ClH.Zn/c1-3-13(4-2)10-8-6-5-7-9(10)12-11;;;;/h5-8H,3-4H2,1-2H3;3*1H;/q+1;;;;+2/p-3
InChIKeyQNRWHSWBTMOCME-UHFFFAOYSA-K
XLogP-5.97
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.99
LogP ≤ 5-5.97
H-Bond Donors ≤ 50
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;2-(diethylamino)benzenediazonium;trichloride?
The IUPAC name of zinc;2-(diethylamino)benzenediazonium;trichloride (CID 21446527) is zinc;2-(diethylamino)benzenediazonium;trichloride.
What is the SMILES notation for zinc;2-(diethylamino)benzenediazonium;trichloride?
The canonical SMILES for zinc;2-(diethylamino)benzenediazonium;trichloride is CCN(CC)c1ccccc1[N+]#N.[Cl-].[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;2-(diethylamino)benzenediazonium;trichloride?
The InChIKey is QNRWHSWBTMOCME-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H14N3.3ClH.Zn/c1-3-13(4-2)10-8-6-5-7-9(10)12-11;;;;/h5-8H,3-4H2,1-2H3;3*1H;/q+1;;;;+2/p-3.
What are the key properties of zinc;2-(diethylamino)benzenediazonium;trichloride?
zinc;2-(diethylamino)benzenediazonium;trichloride has a molecular weight of 347.99 g/mol, XLogP of -5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-(diethylamino)benzenediazonium;trichloride is sourced from PubChem (CID 21446527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).