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4-Benzylpiperazine-1-carboxylic Acid (tert-Butyl Ester-[d8])

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General Information
Catalog: BLP-007793
CAS: 1216387-74-4
Molecular Formula: C16H16D8N2O2
Molecular Weight: 284.42

Chemical Structure

Description	4-Benzylpiperazine-1-carboxylic Acid (tert-Butyl Ester-[d8]) is an isotope labelled intermediate in the synthesis of PAC-1-d8, a caspase 3 activator.
Synonyms	1-(tert-Butoxycarbonyl)-4-(phenylmethyl)piperazine-d8; 1-(tert-Butyloxycarbonyl)-4-benzylpiperazine-d8; 4-(Phenylmethyl)-1-piperazinecarboxylic Acid-d8 1,1-Dimethylethyl Ester
IUPAC Name	tert-butyl 4-benzyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
Related CAS	57260-70-5 (unlabelled)
Canonical SMILES	CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=C2
InChI	InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/i9D2,10D2,11D2,12D2
InChI Key	GVHSMUYEAWMYLM-PMCMNDOISA-N
Boiling Point	362.5±35.0°C at 760 mmHg
Density	1.1±0.1 g/cm3
Solubility	Soluble in Chloroform, DCM, Ethyl Acetate, Methanol