3-Phthalimidopropionaldehyde

C₁₁H₉NO₃CAS 2436-29-5203.20 g/mol

Open in Covalent MOL file

Aldehyde Amide Lactam

Properties

Molecular formula: C₁₁H₉NO₃
Molar mass: 203.20 g/mol
Exact mass: 203.0582 Da
Melting point: 119–120 °C
logP: 0.87Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation55.6% of notifiers
H319 Causes serious eye irritation55.6% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation44.4% of notifiers

Aggregated from 9 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

2436-29-5

SMILES

O=CCCN1C(=O)c2ccccc2C1=O

InChIKey

IBSDSIHTMABATG-UHFFFAOYSA-N

InChI

InChI=1S/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2

Weigh it out

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

Names and synonyms

15 names · show all

2H-Isoindole-2-propanal, 1,3-dihydro-1,3-dioxo-
Phthalimide, N-(2-formylethyl)-
1,3-Dihydro-1,3-dioxo-2H-isoindole-2-propanal
β-Phthalimidopropionaldehyde
N-(2-Formylethyl)phthalimide
3-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)propionaldehyde
NSC 166600
3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propionaldehyde
2-(3-Oxopropyl)isoindole-1,3-dione
3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanal
N-(3-Oxopropyl)phthalimide
3-Phthalimidopropanal
3-(1,3-Dioxoisoindolin-2-yl)propanal
3-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)propanal
3-(1,3-Dioxoisoindol-2-yl)propanal

Work with 3-Phthalimidopropionaldehyde

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

1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde2913-97-568 % similar N-(2-Hydroxyethyl)phthalimide3891-07-458 % similar N-(2-Bromoethyl)phthalimide574-98-158 % similar N-Butylphthalimide1515-72-654 % similar 2-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione5394-18-354 % similar N-(3-Bromopropyl)phthalimide5460-29-754 % similar 2-(3-Hydroxypropyl)-1H-isoindole-1,3(2H)-dione883-44-354 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-653 % similar

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

Same formula

5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-4 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid117-57-7 Methyl 3-formyl-1H-indole-6-carboxylate133831-28-4 3-Formyl-1H-indole-1-acetic acid138423-98-0 4-Methoxy-2-quinolinecarboxylic acid15733-83-2 (S)-(+)-N-(2,3-Epoxypropyl)phthalimide161596-47-0 N-(2-Methoxyphenyl)maleimide17392-68-6 Methyl indolyl-3-glyoxylate18372-22-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook