Vitas-M small molecule compound

N,N-diethyl-N-(2-methoxy-2-oxoethyl)-3-methylbut-2-en-1-aminium

Catalog ID
STL328979
SMILES COC(=O)C[N+](CC=C(C)C)(CC)CC

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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 C12H24NO2 MW 214.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H24NO2/c1-6-13(7-2,9-8-11(3)4)10-12(14)15-5/h8H,6-7,9-10H2,1-5H3/q+1
InChIKey
OEMRAPGLQHXNNE-UHFFFAOYSA-N
Synonyms

CC(N+)(CC)(CC=C(C)C)CC(=O)OC
COC(=O)C(N+)(CC=C(C)C)(CC)CC
COC(=O)C(N+)(CC=C(C)C)(CC)CC(Cl)
DIETHYL(2METHOXY2OXOETHYL)(3METHYLBUT2ENYL)AZANIUM
DIETHYLMETHOXYCARBONYLMETHYL(3METHYLBUT2ENYL)AMMONIUM
InChI=1SC12H24NO2c1613(729811(3)4)1012(14)155h8H67910H215H3q+1
METHYL2(DIETHYL(3METHYLBUT2ENYL)AMINO)ACETATE
MFCD02239031
NNdiethylN(2methoxy2oxoethyl)3methylbut2en1aminium
NNdiethylN(2methoxy2oxoethyl)3methylbut2en1aminiumchloride
ZINC000001787772
ZINC01787772
ZINC1787772

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Available files

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