Vitas-M small molecule compound

4-{[(1-hydroxybutan-2-yl)amino]methyl}benzoic acid

Catalog ID
STK512111
SMILES CCC(NCc1ccc(cc1)C(=O)O)CO

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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 C12H17NO3 MW 223.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17NO3/c1-2-11(8-14)13-7-9-3-5-10(6-4-9)12(15)16/h3-6,11,13-14H,2,7-8H2,1H3,(H,15,16)
InChIKey
BLEFIMUERLIVRN-UHFFFAOYSA-N
Synonyms
932154-26-2
4(((1hydroxybutan2yl)amino)methyl)benzoicacid
4((1hydroxybutan2ylamino)methyl)benzoicacid
932154262
CCC(CO)NCC1=CC=C(C=C1)C(=O)O
InChI=1SC12H17NO3c1211(814)13793510(649)12(15)16h36111314H278H21H3(H1516)
MFCD08756228
ZINC000010474390
ZINC000010474393

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Available files

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