chlorozinc(1+);N,N-dimethylaniline

C8H10ClNZn — CID 10036436

IUPACchlorozinc(1+);N,N-dimethylaniline
SMILESCN(C)c1cc[c-]cc1.Cl[Zn+]
InChIInChI=1S/C8H10N.ClH.Zn/c1-9(2)8-6-4-3-5-7-8;;/h4-7H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyIQGPKNIQYKMVNF-UHFFFAOYSA-M
MW221.02 g/mol
LogP2.24
Rot. Bonds1

About chlorozinc(1+);N,N-dimethylaniline

chlorozinc(1+);N,N-dimethylaniline (PubChem CID 10036436) has the molecular formula C8H10ClNZn and a molecular weight of 221.02 g/mol. Its IUPAC name is chlorozinc(1+);N,N-dimethylaniline.

Molecular Properties

Compound Namechlorozinc(1+);N,N-dimethylaniline
PubChem CID10036436
Molecular FormulaC8H10ClNZn
Molecular Weight221.02 g/mol
Exact Mass218.98
IUPAC Namechlorozinc(1+);N,N-dimethylaniline
SMILESCN(C)c1cc[c-]cc1.Cl[Zn+]
InChIInChI=1S/C8H10N.ClH.Zn/c1-9(2)8-6-4-3-5-7-8;;/h4-7H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyIQGPKNIQYKMVNF-UHFFFAOYSA-M
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);N,N-dimethylaniline?
The IUPAC name of chlorozinc(1+);N,N-dimethylaniline (CID 10036436) is chlorozinc(1+);N,N-dimethylaniline.
What is the SMILES notation for chlorozinc(1+);N,N-dimethylaniline?
The canonical SMILES for chlorozinc(1+);N,N-dimethylaniline is CN(C)c1cc[c-]cc1.Cl[Zn+].
What is the InChIKey of chlorozinc(1+);N,N-dimethylaniline?
The InChIKey is IQGPKNIQYKMVNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N.ClH.Zn/c1-9(2)8-6-4-3-5-7-8;;/h4-7H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);N,N-dimethylaniline?
chlorozinc(1+);N,N-dimethylaniline has a molecular weight of 221.02 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);N,N-dimethylaniline is sourced from PubChem (CID 10036436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).