Not AvailableNot AvailableNot Available
Common Name4-aminobenzoate
Description4-aminobenzoate, also known as para-aminobenzoic acid or paba, is a member of the class of compounds known as aminobenzoic acids. Aminobenzoic acids are benzoic acids containing an amine group attached to the benzene moiety. 4-aminobenzoate is soluble (in water) and a weakly acidic compound (based on its pKa). 4-aminobenzoate can be found in a number of food items such as babassu palm, nectarine, java plum, and black cabbage, which makes 4-aminobenzoate a potential biomarker for the consumption of these food products. Aminobenzoic acid (a benzoic acid with an amino group) can refer to: 4-Aminobenzoic acid (p-aminobenzoic acid or para-aminobenzoic acid) 3-Aminobenzoic acid (m-aminobenzoic acid or meta-aminobenzoic acid) 2-aminobenzoic acid (o-aminobenzoic acid or ortho-aminobenzoic acid, Anthranilic acid) .
Structure
Molecular FormulaC7H6NO2
Average Mass136.12800
Monoisotopic Mass136.03985
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNc1ccc(C(=O)[O-])cc1
InChI IdentifierInChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)/p-1
InChI KeyALYNCZNDIQEVRV-UHFFFAOYSA-M
CHEBI IDCHEBI:17836
HMDB IDHMDB0304171
StateNot Available
Water SolubilityNot Available
logSNot Available
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)Not Available
Hydrogen Acceptor CountNot Available
Hydrogen Donor CountNot Available
Rotatable Bond CountNot Available
Physiological ChargeNot Available
Formal ChargeNot Available
PolarizabilityNot Available

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