chempirical

Butonitazene

C24H32N4O3CAS 95810-54-1424.55 g/mol

Open in Covalent MOL file
ONNNN+OO−
EtherNitroTertiary amine

Properties

Molecular formula
C24H32N4O3
Molar mass
424.55 g/mol
Exact mass
424.2474 Da
logP
5.06Crippen estimate
Polar surface area
73.4 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
12

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
95810-54-1
SMILES
CCCCOC1=CC=C(C=C1)CC2=NC3=C(N2CCN(CC)CC)C=CC(=C3)[N+](=O)[O-]
InChIKey
UZZPOLCDCVWLAZ-UHFFFAOYSA-N
InChI
InChI=1S/C24H32N4O3/c1-4-7-16-31-21-11-8-19(9-12-21)17-24-25-22-18-20(28(29)30)10-13-23(22)27(24)15-14-26(5-2)6-3/h8-13,18H,4-7,14-17H2,1-3H3

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Work with Butonitazene

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

Protonitazene95958-84-290 % similar Protonitazene hydrochloride119276-01-686 % similar Metonitazene14680-51-477 % similar N,N-Diethyl-2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro-1H-benzimidazole-1-ethanamine14188-81-974 % similar 1-Butoxy-4-nitrobenzene7244-78-248 % similar Pracinostat929016-96-639 % similar (2-Butyl-5-nitrobenzofuran-3-yl)(4-(3-dibutylaminopropoxy)phenyl)methanone141645-23-038 % similar N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]benzeneethanamine115287-37-138 % similar

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

Elsewhere

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