anilinoazanium chloride

C6H9ClN2 — CID 10898833

IUPACanilinoazanium chloride
SMILES[Cl-].[NH3+]Nc1ccccc1
InChIInChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H
InChIKeyJOVOSQBPPZZESK-UHFFFAOYSA-N
MW144.60 g/mol
LogP-2.74
Rot. Bonds1

About anilinoazanium chloride

anilinoazanium chloride (PubChem CID 10898833) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is anilinoazanium chloride.

Molecular Properties

Compound Nameanilinoazanium chloride
PubChem CID10898833
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Nameanilinoazanium chloride
SMILES[Cl-].[NH3+]Nc1ccccc1
InChIInChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H
InChIKeyJOVOSQBPPZZESK-UHFFFAOYSA-N
XLogP-2.74
TPSA39.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 5-2.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 6115
CID 6115
CID 7814
CID 7814
CID 7516
CID 7516
CID 31222
CID 31222
CID 12205
CID 12205
CID 8870
CID 8870
CID 60962
CID 60962
CID 8247
CID 8247
CID 61002
CID 61002
CID 8689
CID 8689
CID 11990
CID 11990
CID 10941
CID 10941

Frequently Asked Questions

What is the IUPAC name of anilinoazanium chloride?
The IUPAC name of anilinoazanium chloride (CID 10898833) is anilinoazanium chloride.
What is the SMILES notation for anilinoazanium chloride?
The canonical SMILES for anilinoazanium chloride is [Cl-].[NH3+]Nc1ccccc1.
What is the InChIKey of anilinoazanium chloride?
The InChIKey is JOVOSQBPPZZESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H.
What are the key properties of anilinoazanium chloride?
anilinoazanium chloride has a molecular weight of 144.60 g/mol, XLogP of -2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anilinoazanium chloride is sourced from PubChem (CID 10898833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).