N-(2-Aminoethyl)maleimide trifluoroaceta

C₈H₉F₃N₂O₄CAS 146474-00-2254.17 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Amide Carboxylic acid Lactam Primary amine

Properties

Molecular formula: C₈H₉F₃N₂O₄
Molar mass: 254.17 g/mol
Exact mass: 254.0514 Da
logP: -0.50Crippen estimate
Polar surface area: 100.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

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

146474-00-2

SMILES

C1=CC(=O)N(C1=O)CCN.C(=O)(C(F)(F)F)O

InChIKey

YNHKVOGCDPODMT-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O2.C2HF3O2/c7-3-4-8-5(9)1-2-6(8)10;3-2(4,5)1(6)7/h1-2H,3-4,7H2;(H,6,7)

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Names and synonyms

1 names

n-(2-Aminoethyl)maleimide, trifluoroacetate salt

Work with N-(2-Aminoethyl)maleimide trifluoroaceta

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.

Trifluoroacetic acid76-05-1Free acid Trifluoroacetic acid-d599-00-8Free acid, labelled Sodium trifluoroacetate2923-18-4Salt Mercuric trifluoroacetate13257-51-7Salt Silver trifluoroacetate2966-50-9Salt 1-(2-Aminoethyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride134272-64-3Salt N-Methylanilinium trifluoroacetate29885-95-8Salt Pyridinium trifluoroacetate464-05-1Salt Thallium(III) trifluoroacetate23586-53-0Salt Ammonium trifluoroacetate3336-58-1Salt Copper(II) trifluoroacetate hydrate123333-88-0Salt Lithium trifluoroacetate2923-17-3Salt

Similar compounds

Rhodium (II) Trifluoroacetate dimer31126-95-143 % similar 1,2-Bismaleimidoethane5132-30-942 % similar 3-Maleimidopropionic acid7423-55-441 % similar N-(2-Hydroxyethyl)maleimide1585-90-641 % similar 4-Maleimidobutyric acid57078-98-539 % similar 1,6-Bismaleimidohexane4856-87-539 % similar 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-pentanoic acid57078-99-638 % similar 6-Maleimidocaproic acid55750-53-337 % similar

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

Elsewhere

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