Vitas-M small molecule compound

2-(pentylamino)benzoic acid

Catalog ID
STK913998
SMILES CCCCCNc1ccccc1C(=O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C12H17NO2 MW 207.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17NO2/c1-2-3-6-9-13-11-8-5-4-7-10(11)12(14)15/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,14,15)
InChIKey
OTSQJSTZHBDLRW-UHFFFAOYSA-N
Synonyms
100369-47-9
100369479
2(pentylamino)benzoicacid
CCCCCNC1=CC=CC=C1C(=O)O
InChI=1SC12H17NO2c123691311854710(11)12(14)15h457813H2369H21H3(H1415)
MFCD07439748
ZINC000008703075
ZINC8703075

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.