N,N-dimethylaniline;zinc;hydrochloride

C8H11ClNZn- — CID 87245791

IUPACN,N-dimethylaniline;zinc;hydrochloride
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;;
InChIKeyYDZIPLSQNCDPAI-UHFFFAOYSA-N
MW222.03 g/mol
LogP1.97
Rot. Bonds1

About N,N-dimethylaniline;zinc;hydrochloride

N,N-dimethylaniline;zinc;hydrochloride (PubChem CID 87245791) has the molecular formula C8H11ClNZn- and a molecular weight of 222.03 g/mol. Its IUPAC name is N,N-dimethylaniline;zinc;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylaniline;zinc;hydrochloride
PubChem CID87245791
Molecular FormulaC8H11ClNZn-
Molecular Weight222.03 g/mol
Exact Mass219.99
IUPAC NameN,N-dimethylaniline;zinc;hydrochloride
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;;
InChIKeyYDZIPLSQNCDPAI-UHFFFAOYSA-N
XLogP1.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 51.97
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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Related Compounds

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CID 175706220
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CID 160806419
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline;zinc;hydrochloride?
The IUPAC name of N,N-dimethylaniline;zinc;hydrochloride (CID 87245791) is N,N-dimethylaniline;zinc;hydrochloride.
What is the SMILES notation for N,N-dimethylaniline;zinc;hydrochloride?
The canonical SMILES for N,N-dimethylaniline;zinc;hydrochloride is CN(C)c1cc[c-]cc1.Cl.[Zn].
What is the InChIKey of N,N-dimethylaniline;zinc;hydrochloride?
The InChIKey is YDZIPLSQNCDPAI-UHFFFAOYSA-N. 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;;.
What are the key properties of N,N-dimethylaniline;zinc;hydrochloride?
N,N-dimethylaniline;zinc;hydrochloride has a molecular weight of 222.03 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline;zinc;hydrochloride is sourced from PubChem (CID 87245791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).