Vitas-M small molecule compound

1-(1,3-benzodioxol-5-yl)-N-(3-methylbenzyl)methanamine

Catalog ID
STK194597
SMILES Cc1cccc(c1)CNCc1ccc2c(c1)OCO2

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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 C16H17NO2 MW 255.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO2/c1-12-3-2-4-13(7-12)9-17-10-14-5-6-15-16(8-14)19-11-18-15/h2-8,17H,9-11H2,1H3
InChIKey
ZBTXVYBPJZGWDX-UHFFFAOYSA-N
Synonyms
418777-13-6
(13BENZODIOXOL5YLMETHYL)(3METHYLBENZYL)AMINE
1(13BENZODIOXOL5YL)N((3METHYLPHENYL)METHYL)METHANAMINE
1(13BENZODIOXOL5YL)N(3METHYLBENZYL)METHANAMINE
1(BENZO(D)(13)DIOXOL5YL)N(3METHYLBENZYL)METHANAMINE
418777136
CC1=CC(=CC=C1)CNCC2=CC3=C(C=C2)OCO3
InChI=1SC16H17NO2c11232413(712)9171014561516(814)19111815h2817H911H21H3
MFCD01826517
ZINC000000267269
ZINC267269

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Available files

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