4-Amino-N-methylphthalimide

C9H8N2O2CAS 2307-00-8176.17 g/mol

Open in Covalent MOL file
NOONH2
AmideLactamPrimary amine

Properties

Molecular formula
C9H8N2O2
Molar mass
176.17 g/mol
Exact mass
176.0586 Da
logP
0.49Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
2307-00-8
SMILES
CN1C(=O)C2=C(C1=O)C=C(C=C2)N
InChIKey
KMEBUNSLFRQSEM-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c1-11-8(12)6-3-2-5(10)4-7(6)9(11)13/h2-4H,10H2,1H3

Weigh it out

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Names and synonyms

1 names
  • 5-Amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione

Work with 4-Amino-N-methylphthalimide

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-Methylphthalimide550-44-757 % similar 2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione41663-84-751 % similar 2,6-Diaminoanthraquinone131-14-650 % similar Pigment red 1795521-31-350 % similar 2-Aminoanthraquinone117-79-346 % similar 4-Aminophthalic acid5434-21-946 % similar 4-Amino-N,N-dimethylbenzamide6331-71-146 % similar 4-Amino-2-fluoro-N-methylbenzamide915087-25-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo(1,2-a)pyridine-6-carboxylate136117-69-6 5-Amino-1H-indole-2-carboxylic acid152213-40-6 Methyl 1H-indazole-6-carboxylate170487-40-8 Imidazo[1,2-a]pyridine-3-acetic acid17745-04-9 4-(1H)Indazole carboxylic acid methyl ester192945-49-6 Pemoline2152-34-3

Elsewhere

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