4-Aminophthalimide

C₈H₆N₂O₂CAS 3676-85-5162.15 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₈H₆N₂O₂
Molar mass: 162.15 g/mol
Exact mass: 162.0429 Da
Melting point: 294 °C
Boiling point: 268–275 °C (at 9 Torr)
logP: 0.73Crippen estimate
Polar surface area: 75.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H317 May cause an allergic skin reaction14.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation71.4% of notifiers
H412 Harmful to aquatic life with long lasting effects14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3676-85-5

SMILES

Nc1ccc2c(c1)C(=O)N=C2O

InChIKey

PXRKCOCTEMYUEG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,9H2,(H,10,11,12)

Weigh it out

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

Names and synonyms

7 names

1H-Isoindole-1,3(2H)-dione, 5-amino-
Phthalimide, 4-amino-
5-Amino-1H-isoindole-1,3(2H)-dione
NSC 25173
5-Amino-1,3-dioxo-2,3-dihydro-1H-isoindole
5-Aminoisoindoline-1,3-dione
5-Aminoisoindole-1,3-dione

Work with 4-Aminophthalimide

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

Phthalimide85-41-656 % similar 4-Aminophthalic acid5434-21-953 % similar 4-Nitrophthalimide89-40-753 % similar Perylenediimide81-33-450 % similar 2,6-Diaminoanthraquinone131-14-648 % similar 4,4'-Diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid17557-76-547 % similar 3-Aminophthalimide2518-24-346 % similar 4-Aminosalicylic acid65-49-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 3-(5-Azaindole)carboxylic acid119248-43-0 N-Phenylsydnone120-06-9 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-3 Imidazo(1,2-a)pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-3

Elsewhere

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