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4-(n-Butylamino)benzoic Acid-[2,2,3,3,4,4,4-d7]

General Information
Catalog: BLP-010505
CAS: 1219803-44-7
Molecular Formula: C11H8D7NO2
Molecular Weight: 200.29
Chemical Structure
4-(n-Butylamino)benzoic Acid-[2,2,3,3,4,4,4-d7]
Description 4-(n-Butylamino)benzoic Acid-[2,2,3,3,4,4,4-d7] is the labelled analogue of 4-(n-Butylamino)benzoic Acid. It is an intermediate for the synthesis of 5-nitrothiophene derivatives, which has antimicrobial activity against multi-drug resistant Staphylococcus aureus.
Synonyms 4-(n-Butylamino-2,2,3,3,4,4,4-d7)benzoic Acid; p-(Butylamino)-benzoic Acid-d7; NSC 44300-d7; p-Butylaminobenzoic Acid-d7
IUPAC Name 4-[deuterio(1,1,2,2,3,3-hexadeuteriobutyl)amino]benzoic acid
Related CAS 4740-24-3 (unlabelled)
Canonical SMILES CCCCNC1=CC=C(C=C1)C(=O)O
InChI InChI=1S/C11H15NO2/c1-2-3-8-12-10-6-4-9(5-7-10)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)/i2D2,3D2,8D2/hD
InChI Key YCCRFDDXAVMSLM-MJWSLMPXSA-N
Purity 95%; 95% atom D
Solubility Slightly soluble in Chloroform, Methanol
Appearance Pale Beige Solid
Storage Store at -20°C

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