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Pentylenetetrazole-[d6]

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General Information
Catalog: BLP-003765
CAS: 1329509-68-3
Molecular Formula: C6H4D6N4
Molecular Weight: 144.21

Chemical Structure

Synonyms	6,7,8,9-Tetrahydro-5H-tetrazolo[1,5-a]azepine-d6; 1,2,3,3a-Tetrazacyclohepta-8a,2-cyclopentadiene-d6; 1,5-Pentamethylenetetrazole-d6; Pentylenetetrazole-d6
IUPAC Name	6,6,7,7,8,8-hexadeuterio-5,9-dihydrotetrazolo[1,5-a]azepine
Related CAS	54-95-5 (unlabelled)
Canonical SMILES	C1CCC2=NN=NN2CC1
InChI	InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2/i1D2,2D2,3D2
InChI Key	CWRVKFFCRWGWCS-NMFSSPJFSA-N
Boiling Point	339.3±11.0°C at 760 mmHg
Melting Point	56-59°C
Purity	98% by CP; 98% atom D
Density	1.4±0.1 g/cm3
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Off-white Powder
Storage	Store at-20°C