Vitas-M small molecule compound

2-(tert-butylamino)-1-(3-nitrophenyl)ethanol

Catalog ID
STK699950
SMILES OC(c1cccc(c1)[N+](=O)[O-])CNC(C)(C)C

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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 C12H18N2O3 MW 238.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N2O3/c1-12(2,3)13-8-11(15)9-5-4-6-10(7-9)14(16)17/h4-7,11,13,15H,8H2,1-3H3
InChIKey
XNLZARSNKDQBKL-UHFFFAOYSA-N
Synonyms

2(tertbutylamino)1(3nitrophenyl)ethanol
2(tertbutylamino)1(3nitrophenyl)ethanolhydrochloride
BENZENEMETHANOLA(((11DIMETHYLETHYL)AMINO)METHYL)3NITRO
CC(C)(C)NCC(C1=CC(=CC=C1)(N+)(=O)(O))O
InChI=1SC12H18N2O3c112(23)13811(15)954610(79)14(16)17h47111315H8H213H3
MFCD01550712
OC(c1cccc(c1)(N+)(=O)(O))CNC(C)(C)C
OC(c1cccc(c1)(N+)(=O)(O))CNC(C)(C)CCl
ZINC000000348242
ZINC000000348245

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Available files

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