Vitas-M small molecule compound

2-[(1,3-benzodioxol-5-ylmethyl)amino]butan-1-ol

Catalog ID
STK510825
SMILES CCC(NCc1ccc2c(c1)OCO2)CO

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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 C12H17NO3 MW 223.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17NO3/c1-2-10(7-14)13-6-9-3-4-11-12(5-9)16-8-15-11/h3-5,10,13-14H,2,6-8H2,1H3
InChIKey
BAGYVQMSXHKUFC-UHFFFAOYSA-N
Synonyms
717830-99-4
2((13benzodioxol5ylmethyl)amino)butan1ol
2((2H13BENZODIOXOL5YLMETHYL)AMINO)BUTAN1OL
2((2HBENZO(34D)13DIOXOLAN5YLMETHYL)AMINO)BUTAN1OL
2((BENZO(13)DIOXOL5YLMETHYL)AMINO)BUTAN1OL
2(13BENZODIOXOL5YLMETHYLAMINO)BUTAN1OL
717830994
CCC(CO)NCC1=CC2=C(C=C1)OCO2
InChI=1SC12H17NO3c1210(714)1369341112(59)1681511h35101314H268H21H3
MFCD06006448
ZINC000004290947
ZINC000004290949

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Available files

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