Vitas-M small molecule compound

1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane

Catalog ID
STK081602
SMILES c1ccc(cc1)C[N+]12CCN(CC1)CC2

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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 C13H19N2 MW 203.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N2/c1-2-4-13(5-3-1)12-15-9-6-14(7-10-15)8-11-15/h1-5H,6-12H2/q+1
InChIKey
AQBXOJYDGCYPNQ-UHFFFAOYSA-N
Synonyms
42790-42-1
1BENZYL1AZONIA4AZABICYCLO(222)OCTANE
1BENZYL4AZA1AZONIABICYCLO(222)OCTANE
42790421
4AZA1AZONIABICYCLO(222)OCTANE1(PHENYLMETHYL)
4BENZYL1AZA4AZONIABICYCLO(222)OCTANE
C1C(N+)2(CCN1CC2)CC3=CC=CC=C3
c1ccc(cc1)C(N+)12CCN(CC1)CC2
InChI=1SC13H19N2c12413(531)12159614(71015)81115h15H612H2q+1
MFCD05739201
STK081602
ZINC000000281397
ZINC00281397
ZINC281397

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Available files

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