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Chemical structure of NNK-d4

GC69578

NNK-d4

Also known as N-methyl-N-[4-oxo-4-(2,4,5,6-tetradeuterio-3-pyridinyl)butyl]nitrous amide

NNK-d4 is the deuterated form of NNK

ChemicalCAS764661-24-7MW211.25FormulaC10H9D4N3O2
CAS number
764661-24-7
Molecular weight
211.25
Formula
C10H9D4N3O2
Solubility
DMSO ： ≥ 62·5 mg/mL (295·86 mM)
InChIKey
FLAQQSHRLBFIEZ-MNYIHESISA-N
Catalogue number
GC69578
Brand
GLPBIO
Computed properties PubChem CID 12147167 · XLogP 0.8 · TPSA 62.6 Ų · H-bond donors 0
XLogP
0.8
TPSA
62.6 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
15

SMILES [2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)CCCN(C)N=O)[2H]

Computed descriptors from PubChem (CID 12147167), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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