Vitas-M small molecule compound

4-{[(4-methylbenzyl)amino]methyl}benzoic acid

Catalog ID
STK513307
SMILES Cc1ccc(cc1)CNCc1ccc(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 C16H17NO2 MW 255.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO2/c1-12-2-4-13(5-3-12)10-17-11-14-6-8-15(9-7-14)16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKey
PLDLRIRHEYJSAV-UHFFFAOYSA-N
Synonyms
892565-56-9
4(((4methylbenzyl)amino)methyl)benzoicacid
4(((4METHYLPHENYL)METHYLAMINO)METHYL)BENZOICACID
4(((4methylphenyl)methylazaniumyl)methyl)benzoate
892565569
CC1=CC=C(C=C1)C(NH2+)CC2=CC=C(C=C2)C(=O)(O)
InChI=1SC16H17NO2c1122413(5312)101711146815(9714)16(18)19h2917H1011H21H3(H1819)
MFCD07408111
ZINC000008550092
ZINC08550092
ZINC8550092

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Available files

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