zinc;N-(2-diazoethyl)aniline;dichloride

C8H9Cl2N3Zn — CID 173405510

IUPACzinc;N-(2-diazoethyl)aniline;dichloride
SMILES[Cl-].[Cl-].[N-]=[N+]=CCNc1ccccc1.[Zn+2]
InChIInChI=1S/C8H9N3.2ClH.Zn/c9-11-7-6-10-8-4-2-1-3-5-8;;;/h1-5,7,10H,6H2;2*1H;/q;;;+2/p-2
InChIKeyDFHKODCJXRQPEM-UHFFFAOYSA-L
MW283.48 g/mol
LogP-4.60
Rot. Bonds3

About zinc;N-(2-diazoethyl)aniline;dichloride

zinc;N-(2-diazoethyl)aniline;dichloride (PubChem CID 173405510) has the molecular formula C8H9Cl2N3Zn and a molecular weight of 283.48 g/mol. Its IUPAC name is zinc;N-(2-diazoethyl)aniline;dichloride.

Molecular Properties

Compound Namezinc;N-(2-diazoethyl)aniline;dichloride
PubChem CID173405510
Molecular FormulaC8H9Cl2N3Zn
Molecular Weight283.48 g/mol
Exact Mass280.95
IUPAC Namezinc;N-(2-diazoethyl)aniline;dichloride
SMILES[Cl-].[Cl-].[N-]=[N+]=CCNc1ccccc1.[Zn+2]
InChIInChI=1S/C8H9N3.2ClH.Zn/c9-11-7-6-10-8-4-2-1-3-5-8;;;/h1-5,7,10H,6H2;2*1H;/q;;;+2/p-2
InChIKeyDFHKODCJXRQPEM-UHFFFAOYSA-L
XLogP-4.60
TPSA48.43 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 5-4.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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CID 101288969
N,N'-diphenylbut-2-ene-1,4-diamine;ethane;N-prop-2-enylaniline
CID 159867167
(Z)-4-anilino-2-phenylbut-2-en-1-ol
CID 177431332
bis(2-anilinoacetate);cadmium(2+)
CID 88771971
N-(bromomethyl)aniline
CID 66636223
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N-(2-azidoprop-2-enyl)aniline
CID 141405457
N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
CID 156769012
N'-(anilinomethyl)-N,N'-diphenylmethanediamine
CID 20668878
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-chloro-3-(2-diazoethyl)aniline
CID 91546613
3-but-3-en-2-yloxybut-1-ene;N-ethylaniline
CID 66648742

Frequently Asked Questions

What is the IUPAC name of zinc;N-(2-diazoethyl)aniline;dichloride?
The IUPAC name of zinc;N-(2-diazoethyl)aniline;dichloride (CID 173405510) is zinc;N-(2-diazoethyl)aniline;dichloride.
What is the SMILES notation for zinc;N-(2-diazoethyl)aniline;dichloride?
The canonical SMILES for zinc;N-(2-diazoethyl)aniline;dichloride is [Cl-].[Cl-].[N-]=[N+]=CCNc1ccccc1.[Zn+2].
What is the InChIKey of zinc;N-(2-diazoethyl)aniline;dichloride?
The InChIKey is DFHKODCJXRQPEM-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H9N3.2ClH.Zn/c9-11-7-6-10-8-4-2-1-3-5-8;;;/h1-5,7,10H,6H2;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;N-(2-diazoethyl)aniline;dichloride?
zinc;N-(2-diazoethyl)aniline;dichloride has a molecular weight of 283.48 g/mol, XLogP of -4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;N-(2-diazoethyl)aniline;dichloride is sourced from PubChem (CID 173405510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).