Protonitazene

C₂₃H₃₀N₄O₃CAS 95958-84-2410.52 g/mol

Open in Covalent MOL file

Ether Nitro Tertiary amine

Properties

Molecular formula: C₂₃H₃₀N₄O₃
Molar mass: 410.52 g/mol
Exact mass: 410.2318 Da
logP: 4.67Crippen estimate
Polar surface area: 73.4 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 11

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

95958-84-2

SMILES

CCCOC1=CC=C(C=C1)CC2=NC3=C(N2CCN(CC)CC)C=CC(=C3)[N+](=O)[O-]

InChIKey

SJHUJFHOXYDSJY-UHFFFAOYSA-N

InChI

InChI=1S/C23H30N4O3/c1-4-15-30-20-10-7-18(8-11-20)16-23-24-21-17-19(27(28)29)9-12-22(21)26(23)14-13-25(5-2)6-3/h7-12,17H,4-6,13-16H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1H-Benzimidazole-1-ethanamine, N,N-diethyl-5-nitro-2-[(4-propoxyphenyl)methyl]-

Work with Protonitazene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Protonitazene hydrochloride119276-01-6Salt

Similar compounds

Butonitazene95810-54-190 % similar Metonitazene14680-51-480 % similar 1-Butoxy-4-nitrobenzene7244-78-241 % similar N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]benzeneethanamine115287-37-139 % similar P-Nitrophenetole100-29-837 % similar 5-Ethyl-2-[2-(4-nitrophenoxy)ethyl]pyridine85583-54-636 % similar Pracinostat929016-96-636 % similar Tesmilifene98774-23-336 % similar

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

Same formula

N,N-Diethyl-2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro-1H-benzimidazole-1-ethanamine14188-81-9

Elsewhere

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