Vitas-M small molecule compound

4-[(pentylamino)methyl]benzoic acid

Catalog ID
STL115315
SMILES CCCCCNCc1ccc(cc1)C(=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 C13H19NO2 MW 221.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19NO2/c1-2-3-4-9-14-10-11-5-7-12(8-6-11)13(15)16/h5-8,14H,2-4,9-10H2,1H3,(H,15,16)
InChIKey
ISOZUCLNRGFQLE-UHFFFAOYSA-N
Synonyms

4((pentylamino)methyl)benzoicacid
CCCCCNCC1=CC=C(C=C1)C(=O)O
InChI=1SC13H19NO2c123491410115712(8611)13(15)16h5814H24910H21H3(H1516)
MFCD08756386
ZINC000010474826
ZINC10474826

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Available files

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