Ferrostatin-1

C15H22N2O2CAS 347174-05-4262.35 g/mol

Open in Covalent MOL file
OONHNH2
EsterPrimary amineSecondary 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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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