Vitas-M small molecule compound

1-(2-hydroxy-2-phenylethyl)-1-methylazepanium

Catalog ID
STK036981
SMILES OC(c1ccccc1)C[N+]1(C)CCCCCC1

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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 C15H24NO MW 234.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H24NO/c1-16(11-7-2-3-8-12-16)13-15(17)14-9-5-4-6-10-14/h4-6,9-10,15,17H,2-3,7-8,11-13H2,1H3/q+1
InChIKey
XVHCXMDEIPVAEH-UHFFFAOYSA-N
Synonyms

1(2HYDROXY2PHENYLETHYL)1METHYLAZEPANIUM
2(1METHYL1AZEPAN1IUMYL)1PHENYLETHANOLIODIDE
2(1METHYLAZEPAN1IUM1YL)1PHENYLETHANOL
2(1METHYLAZEPAN1IUM1YL)1PHENYLETHANOLIODIDE
C(N+)1(CCCCCC1)CC(C2=CC=CC=C2)O
InChI=1SC15H24NOc116(1172381216)1315(17)1495461014h469101517H23781113H21H3q+1
MFCD01543171
OC(c1ccccc1)C(N+)1(C)CCCCCC1
STK036981
ZINC000004184495
ZINC000004184496

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Available files

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