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Terbuthylazine-desethyl-[d9]

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General Information
Catalog: BLP-012610
CAS: 1219798-52-3
Molecular Formula: C7H3D9ClN5
Molecular Weight: 210.71

Chemical Structure

Description	Terbuthylazine-desethyl-[d9] is the labelled analogue of Desethyl Terbuthylazine
Synonyms	Terbuthylazine-desethyl D9; 6-Chloro-N2-(1,1-dimethylethyl)-1,3,5-triazine-2,4-diamine-d9
IUPAC Name	6-chloro-2-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-1,3,5-triazine-2,4-diamine
Related CAS	30125-63-4 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC1=NC(=NC(=N1)N)Cl
Canonical SMILES	CC(C)(C)NC1=NC(=NC(=N1)N)Cl
InChI	InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)/i1D3,2D3,3D3
InChI Key	LMKQNTMFZLAJDV-GQALSZNTSA-N
Boiling Point	386.8±25.0 °C at 760 mmHg
Melting Point	143-145°C
Purity	95% by HPLC; 95% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C, under inert atmosphere