N-(4-Carboxyphenyl)maleimide

C₁₁H₇NO₄CAS 17057-04-4217.18 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam

Properties

Molecular formula: C₁₁H₇NO₄
Molar mass: 217.18 g/mol
Exact mass: 217.0375 Da
Melting point: 225–228 °C
logP: 0.81Crippen estimate
Polar surface area: 74.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17057-04-4

SMILES

O=C(O)c1ccc(N2C(=O)C=CC2=O)cc1

InChIKey

LKUOJDGRNKVVFF-UHFFFAOYSA-N

InChI

InChI=1S/C11H7NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h1-6H,(H,15,16)

Weigh it out

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

Names and synonyms

11 names

Benzoic acid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-
Benzoic acid, p-maleimido-
4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzoic acid
4-Maleimidobenzoic acid
p-Maleimidobenzoic acid
p-(N-Maleimido)benzoic acid
N-(p-Carboxyphenyl)maleimide
NSC 14889
NSC 521355
p-Carboxyphenylmaleimide
4-(2,5-Dioxo-2,5-dihydropyrrol-1-yl)benzoic acid

Work with N-(4-Carboxyphenyl)maleimide

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

1,4-Phenylenebismaleimide3278-31-767 % similar 4,4',4''-Nitrilotribenzoic acid118996-38-660 % similar 4-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)benzoic acid5383-82-460 % similar N-(4-Hydroxyphenyl)maleimide7300-91-659 % similar N-(4-Acetylphenyl)maleimide1082-85-559 % similar Terephthalic acid100-21-056 % similar N-Phenylmaleimide941-69-555 % similar 4′,4′′′,4′′′′′-Nitrilotris[[1,1′-biphenyl]-4-carboxylic acid]1239602-35-755 % similar

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

Same formula

5-(3-Nitrophenyl)-2-furaldehyde13148-43-1 3-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)benzoic acid17057-07-7 5-(2-Nitrophenyl)-2-furaldehyde20000-96-8 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylic acid49711-55-9 2,3-Quinolinedicarboxylic acid643-38-9 5-(4-Nitrophenyl)-2-furancarboxaldehyde7147-77-5

Elsewhere

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