N-(Hydroxymethyl)phthalimide

C₉H₇NO₃CAS 118-29-6177.16 g/mol

Open in Covalent MOL file

Alcohol Amide Lactam

Properties

Molecular formula: C₉H₇NO₃
Molar mass: 177.16 g/mol
Exact mass: 177.0426 Da
Melting point: 141–142 °C
logP: 0.23Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation11.9% of notifiers
H319 Causes serious eye irritation11.9% of notifiers
H335 May cause respiratory irritation11.9% of notifiers

Aggregated from 42 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

118-29-6

SMILES

O=C1c2ccccc2C(=O)N1CO

InChIKey

MNSGOOCAMMSKGI-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2

Weigh it out

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

Names and synonyms

12 names

1H-Isoindole-1,3(2H)-dione, 2-(hydroxymethyl)-
Phthalimide, N-(hydroxymethyl)-
2-(Hydroxymethyl)-1H-isoindole-1,3(2H)-dione
Phthalimidomethyl alcohol
(Hydroxymethyl)phthalimide
N-Methylolphthalimide
NSC 27350
NSC 27471
NSC 39723
2-(Hydroxymethyl)isoindoline-1,3-dione
2-(Hydroxymethyl)-2,3-dihydro-1H-isoindole-1,3-dione
2-(Hydroxymethyl)isoindole-1,3-dione

Work with N-(Hydroxymethyl)phthalimide

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

N-(2-Hydroxyethyl)phthalimide3891-07-466 % similar 2-(3-Hydroxypropyl)-1H-isoindole-1,3(2H)-dione883-44-361 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-661 % similar Benzylphthalimide2142-01-059 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-759 % similar N-(Bromomethyl)phthalimide5332-26-359 % similar N-Phthaloylglycine4702-13-058 % similar 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde2913-97-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dihydro-1,4-benzodioxin-6-yl isocyanate100275-94-3 5-Carboxyoxindole102359-00-2 N-Methylisatoic anhydride10328-92-4 5-Nitro-2-indanone116530-60-0 2-Nitrocinnamaldehyde1466-88-2 4-Nitrocinnamaldehyde1734-79-8 5-Hydroxyindole-2-carboxylic acid21598-06-1 6-Nitroindanone24623-24-3

Elsewhere

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