potassium 4-(dimethylaminodiazenyl)benzoate

C9H10KN3O2 — CID 23663944

IUPACpotassium 4-(dimethylaminodiazenyl)benzoate
SMILESCN(C)/N=N/c1ccc(C(=O)[O-])cc1.[K+]
InChIInChI=1S/C9H11N3O2.K/c1-12(2)11-10-8-5-3-7(4-6-8)9(13)14;/h3-6H,1-2H3,(H,13,14);/q;+1/p-1/b11-10+;
InChIKeyCQCSMHBWJYXCBB-ASTDGNLGSA-M
MW231.30 g/mol
LogP-2.39
Rot. Bonds3

About potassium 4-(dimethylaminodiazenyl)benzoate

potassium 4-(dimethylaminodiazenyl)benzoate (PubChem CID 23663944) has the molecular formula C9H10KN3O2 and a molecular weight of 231.30 g/mol. Its IUPAC name is potassium 4-(dimethylaminodiazenyl)benzoate.

Molecular Properties

Compound Namepotassium 4-(dimethylaminodiazenyl)benzoate
PubChem CID23663944
Molecular FormulaC9H10KN3O2
Molecular Weight231.30 g/mol
Exact Mass231.04
IUPAC Namepotassium 4-(dimethylaminodiazenyl)benzoate
SMILESCN(C)/N=N/c1ccc(C(=O)[O-])cc1.[K+]
InChIInChI=1S/C9H11N3O2.K/c1-12(2)11-10-8-5-3-7(4-6-8)9(13)14;/h3-6H,1-2H3,(H,13,14);/q;+1/p-1/b11-10+;
InChIKeyCQCSMHBWJYXCBB-ASTDGNLGSA-M
XLogP-2.39
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 4-(dimethylaminodiazenyl)benzoate?
The IUPAC name of potassium 4-(dimethylaminodiazenyl)benzoate (CID 23663944) is potassium 4-(dimethylaminodiazenyl)benzoate.
What is the SMILES notation for potassium 4-(dimethylaminodiazenyl)benzoate?
The canonical SMILES for potassium 4-(dimethylaminodiazenyl)benzoate is CN(C)/N=N/c1ccc(C(=O)[O-])cc1.[K+].
What is the InChIKey of potassium 4-(dimethylaminodiazenyl)benzoate?
The InChIKey is CQCSMHBWJYXCBB-ASTDGNLGSA-M. The full InChI is InChI=1S/C9H11N3O2.K/c1-12(2)11-10-8-5-3-7(4-6-8)9(13)14;/h3-6H,1-2H3,(H,13,14);/q;+1/p-1/b11-10+;.
What are the key properties of potassium 4-(dimethylaminodiazenyl)benzoate?
potassium 4-(dimethylaminodiazenyl)benzoate has a molecular weight of 231.30 g/mol, XLogP of -2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(dimethylaminodiazenyl)benzoate is sourced from PubChem (CID 23663944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).