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Chemical structure of 5-fluoro-tert-Butylbenzyl-PINACA

GC42544

5-fluoro-tert-Butylbenzyl-PINACA

Also known as N-(2,2-dimethyl-1-phenylpropyl)-1-(5-fluoropentyl)indazole-3-carboxamide

5-fluoro-tert-Butylbenzyl-PINACA is an analytical reference standard that is structurally similar to known synthetic cannabinoids

ChemicalCAS2749299-04-3MW395.5FormulaC24H30FN3O
CAS number
2749299-04-3
Molecular weight
395.5
Formula
C24H30FN3O
Solubility
DMF： 12 mg/ml,DMSO： 12 mg/ml,DMSO：PBS (pH 7·2)(1：8)： 0·12 mg/ml,Ethanol： 10 mg/ml
InChIKey
XRAMUHKDZOPJDF-UHFFFAOYSA-N
Catalogue number
GC42544
Brand
GLPBIO
Computed properties PubChem CID 137700107 · XLogP 5.8 · TPSA 46.9 Ų · H-bond donors 1
XLogP
5.8
TPSA
46.9 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
29

SMILES CC(C)(C)C(C1=CC=CC=C1)NC(=O)C2=NN(C3=CC=CC=C32)CCCCCF

Computed descriptors from PubChem (CID 137700107), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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