5-Acetamidoanthranilic acid

C₉H₁₀N₂O₃CAS 50670-83-2194.19 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₀N₂O₃
Molar mass: 194.19 g/mol
Exact mass: 194.0691 Da
logP: 1.57Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed88.6% of notifiers
H315 Causes skin irritation11.4% of notifiers
H319 Causes serious eye irritation13.6% of notifiers
H335 May cause respiratory irritation11.4% of notifiers

Aggregated from 44 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50670-83-2

SMILES

CC(O)=Nc1ccc(N)c(C(=O)O)c1

InChIKey

GSOHXJQXAKNJES-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N2O3/c1-5(12)11-6-2-3-8(10)7(4-6)9(13)14/h2-4H,10H2,1H3,(H,11,12)(H,13,14)

Weigh it out

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

Names and synonyms

8 names

Benzoic acid, 5-(acetylamino)-2-amino-
Benzoic acid, 5-acetamido-2-amino-
5-(Acetylamino)-2-aminobenzoic acid
1-Amino-2-carboxy-4-acetamidobenzene
5-Acetylaminoanthranilic acid
5-Acetylamino-2-aminobenzoic acid
2-Amino-5-acetamidobenzoic acid
5-(N-Acetylamino)anthranilic acid

Work with 5-Acetamidoanthranilic acid

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

4-Acetamidosalicylic acid50-86-263 % similar 5-Acetamido-2-nitrobenzoic acid4368-83-658 % similar N-(3-Amino-4-chlorophenyl)acetamide51867-83-557 % similar 2-Amino-5-methylbenzoic acid2941-78-856 % similar Acedoben556-08-155 % similar 5-Acetamido-2-aminobenzenesulfonic acid96-78-655 % similar 5-Hydroxyanthranilic acid394-31-054 % similar 3-Acetamidobenzoic acid587-48-454 % similar

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

Same formula

p-Aminohippuric acid61-78-9

Elsewhere

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