sodium 4-(dimethylamino)benzoate

C9H10NNaO2 — CID 23699059

IUPACsodium 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C9H11NO2.Na/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6H,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyRNXMNXNEZOUMQV-UHFFFAOYSA-M
MW187.17 g/mol
LogP-2.88
Rot. Bonds2

About sodium 4-(dimethylamino)benzoate

sodium 4-(dimethylamino)benzoate (PubChem CID 23699059) has the molecular formula C9H10NNaO2 and a molecular weight of 187.17 g/mol. Its IUPAC name is sodium 4-(dimethylamino)benzoate.

Molecular Properties

Compound Namesodium 4-(dimethylamino)benzoate
PubChem CID23699059
Molecular FormulaC9H10NNaO2
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Namesodium 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)[O-])cc1.[Na+]
InChIInChI=1S/C9H11NO2.Na/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6H,1-2H3,(H,11,12);/q;+1/p-1
InChIKeyRNXMNXNEZOUMQV-UHFFFAOYSA-M
XLogP-2.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-2.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 4-(dimethylamino)benzoate?
The IUPAC name of sodium 4-(dimethylamino)benzoate (CID 23699059) is sodium 4-(dimethylamino)benzoate.
What is the SMILES notation for sodium 4-(dimethylamino)benzoate?
The canonical SMILES for sodium 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)[O-])cc1.[Na+].
What is the InChIKey of sodium 4-(dimethylamino)benzoate?
The InChIKey is RNXMNXNEZOUMQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO2.Na/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6H,1-2H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 4-(dimethylamino)benzoate?
sodium 4-(dimethylamino)benzoate has a molecular weight of 187.17 g/mol, XLogP of -2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(dimethylamino)benzoate is sourced from PubChem (CID 23699059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).