5-Aminosalicylic acid

C₇H₇NO₃CAS 89-57-6153.14 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₇H₇NO₃
Molar mass: 153.14 g/mol
Exact mass: 153.0426 Da
Melting point: 283 °C
Water solubility: < 1 g/L (21.1 °C)
logP: 0.67Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation81.5% of notifiers
H317 May cause an allergic skin reaction44.1% of notifiers
H319 Causes serious eye irritation81.5% of notifiers
H335 May cause respiratory irritation81% of notifiers
H412 Harmful to aquatic life with long lasting effects17.9% of notifiers

Aggregated from 195 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

89-57-6

SMILES

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

InChIKey

KBOPZPXVLCULAV-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)

Weigh it out

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

Names and synonyms

34 names · show all

Fivasa
Delzicol
Benzoic acid, 5-amino-2-hydroxy-
Salicylic acid, 5-amino-
5-Amino-2-hydroxybenzoic acid
2-Hydroxy-5-aminobenzoic acid
3-Carboxy-4-hydroxyaniline
Pentasa
Mesalamine
Mesalazine
Asacol
5-ASA
Salofalk
Claversal
Asacolitin
Salozinal
Mesacol
Asacolon
Fisalamine
Lixacol
Mesasal
m-Aminosalicylic acid
Rowasa
NSC 38877
Canasa
Ipocol
Asalit
Lialda
Mesalsal
Novo-5 ASA
Colasa
Apriso
Mezavant
Rovasa

Work with 5-Aminosalicylic 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-Aminosalicylic acid65-49-674 % similar 4-Aminophthalic acid5434-21-970 % similar 4,4'-Diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid17557-76-568 % similar 4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-665 % similar Gentisic acid490-79-963 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 5-Amino-2-bromobenzoic acid2840-02-062 % similar 5-Amino-2-methylbenzoic acid2840-04-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitroanisole100-17-4 Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-3 2-Methoxy-4-pyridinecarboxylic acid105596-63-2 4-Methyl-2-nitrophenol119-33-5 2-Methyl-6-nitrophenol13073-29-5 3-Amino-4-hydroxybenzoic acid1571-72-8 2-Methoxynicotinic acid16498-81-0 4-Methyl-3-nitrophenol2042-14-0

Elsewhere

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