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4-Aminobenzoic acid-[13C6]

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General Information
Catalog: BLP-002844
CAS: 161406-19-5
Molecular Formula: C[13C]6H7NO2
Molecular Weight: 143.09

Chemical Structure

Description	4-Aminobenzoic acid-[13C6] is the labelled analogue of 4-Aminobenzoic acid. 4-Aminobenzoic acid, also known as PABA, is a B vitamin derivative with UV absorption and antifibrotic properties. 4-Aminobenzoic acid can be generated by some intestinal bacteria, and acts as an intermediate in the synthesis of folate (vitamin B9). It is used as a treatment of fibrotic skin disorders, and a supplement for fatigue, irritability, depression, etc. PABA is an impurity of Tetracaine.
Synonyms	4-Aminobenzoic acid-13C6; 4-Aminobenzoic acid-(phenyl-13C6); p-Aminobenzoic Acid-13C6; Bacterial Vitamin H1-13C6; p-Carboxyaniline-13C6; p-Carboxyphenylamine-13C6; Actipol-13C6; Amben-13C6; PABA-13C6; Pabacyd-13C6; Pabafilm-13C6; Trichochromogenic Factor-13C6; Vitamin BX-13C6; Vitamin H'-13C6; Tetracaine EP Impurity A-13C6
IUPAC Name	4-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
Related CAS	150-13-0 (unlabelled)
Isomeric SMILES	[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1C(=O)O)N
Canonical SMILES	C1=CC(=CC=C1C(=O)O)N
InChI	InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)/i1+1,2+1,3+1,4+1,5+1,6+1
InChI Key	ALYNCZNDIQEVRV-IDEBNGHGSA-N
Melting Point	187-188 °C
Purity	≥ 99% (CP); ≥ 99% atom 13C
Solubility	Soluble in Water