chempirical

Metonitazene

C21H26N4O3CAS 14680-51-4382.46 g/mol

Open in Covalent MOL file
NNN+OO−NO
EtherNitroTertiary amine

Properties

Molecular formula
C21H26N4O3
Molar mass
382.46 g/mol
Exact mass
382.2005 Da
logP
3.89Crippen estimate
Polar surface area
73.4 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
14680-51-4
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OC
InChIKey
HNGZTLMRQTVPBH-UHFFFAOYSA-N
InChI
InChI=1S/C21H26N4O3/c1-4-23(5-2)12-13-24-20-11-8-17(25(26)27)15-19(20)22-21(24)14-16-6-9-18(28-3)10-7-16/h6-11,15H,4-5,12-14H2,1-3H3

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Work with Metonitazene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N-Diethyl-2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro-1H-benzimidazole-1-ethanamine14188-81-980 % similar Protonitazene95958-84-280 % similar Butonitazene95810-54-177 % similar Protonitazene hydrochloride119276-01-676 % similar 1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine74852-61-241 % similar 4-Nitroanisole100-17-440 % similar 4-Methoxy-4'-nitrobiphenyl2143-90-038 % similar 3-Nitroanisole555-03-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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