Ferrostatin-1

C₁₅H₂₂N₂O₂CAS 347174-05-4262.35 g/mol

Open in Covalent MOL file

Ester Primary amine Secondary amine

Properties

Molecular formula: C₁₅H₂₂N₂O₂
Molar mass: 262.35 g/mol
Exact mass: 262.1681 Da
logP: 3.19Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

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

347174-05-4

SMILES

CCOC(=O)C1=CC(=C(C=C1)NC2CCCCC2)N

InChIKey

UJHBVMHOBZBWMX-UHFFFAOYSA-N

InChI

InChI=1S/C15H22N2O2/c1-2-19-15(18)11-8-9-14(13(16)10-11)17-12-6-4-3-5-7-12/h8-10,12,17H,2-7,16H2,1H3

Weigh it out

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Names and synonyms

1 names

Ferrostatin-1 (fer-1)

Work with Ferrostatin-1

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

Ethyl 3,4-diaminobenzoate37466-90-360 % similar Ethyl 3-amino-4-fluorobenzoate455-75-455 % similar Benzocaine94-09-747 % similar Diethyl 4,4'-biphenyldicarboxylate47230-38-647 % similar Diethyl terephthalate636-09-947 % similar Ethyl 3-aminobenzoate582-33-246 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-346 % similar Ethyl protocatechuate3943-89-345 % similar

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

Same formula

tert-Butyl (3S,4R)-4-phenylpyrrolidin-3-ylcarbamate351360-61-7 tert-Butyl 3-phenylpiperazine-1-carboxylate502649-25-4 Hydrogenated MDI5124-30-1

Elsewhere

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