Phthalimidoacetaldehyde diethyl acetal

C₁₄H₁₇NO₄CAS 78902-09-7263.29 g/mol

Open in Covalent MOL file

Acetal Amide Ether Lactam

Properties

Molecular formula: C₁₄H₁₇NO₄
Molar mass: 263.29 g/mol
Exact mass: 263.1158 Da
logP: 1.68Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

78902-09-7

SMILES

CCOC(CN1C(=O)C2=CC=CC=C2C1=O)OCC

InChIKey

GEFXJJJQUSEHLV-UHFFFAOYSA-N

InChI

InChI=1S/C14H17NO4/c1-3-18-12(19-4-2)9-15-13(16)10-7-5-6-8-11(10)14(15)17/h5-8,12H,3-4,9H2,1-2H3

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Names and synonyms

1 names

2-Phthalimidoacetaldehyde diethyl acetal

Work with Phthalimidoacetaldehyde diethyl acetal

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

(S)-(+)-N-(2,3-Epoxypropyl)phthalimide161596-47-061 % similar N-(2,3-Epoxypropyl)phthalimide5455-98-161 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-756 % similar Diethyl ((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphonate33512-26-455 % similar N-Carbethoxyphthalimide22509-74-651 % similar Ethyl phthalimidomalonate5680-61-551 % similar N-Butylphthalimide1515-72-650 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde2913-97-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-4 1-Cbz-2-piperidinecarboxylic acid28697-07-6 (D)-N-(Benzyloxycarbonyl)pipecolic acid28697-09-8 1-Carbobenzoxy-2-piperidinecarboxylic Acid71170-88-2 1-[(Benzyloxy)carbonyl]-3-piperidinecarboxylic acid78190-11-1 (S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester88466-74-4

Elsewhere

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