5aminoSA.gifJMOL view

Compound Name: 5-aminosalicylic acid
Common Names:
IUPAC Name: 5-amino-2-hydroxy-benzoic acid

CAS RN: 89-57-6
SMILES: Oc1ccc(N)cc1C(=O)O
InChI=1/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
InChIKey: KBOPZPXVLCULAV-UHFFFAOYAE

ChemSpider Permalink:
http://www.chemspider.com/Chemical-Structure.3933.html

Molecular Formula: C7H7NO3
Molecular Weight (average): 153.1354
Molecular Weight (monisotopic): 153.04259
Melting point: 275-280C (dec)
LogP (ACD v5.0 logD calculated): 0.46 +/- 0.26
pKa (ACD v5.0 pKa calculated): 1.91 +/- 0.10 (COOH), 5.43 +/- 0.10 (5-NH2), 13.95 +/- 0.18(2-0H)
Proton Affinity:
Vapor pressure (ChemSpider predicted): 3.01E-07 mmHg at 25°C

Spectral Information:
IR spectrum ATR 1cm-1 resolution
UV spectrum 1 nm resolution in methanol
UV spectrum 1 nm resolution in acetonitrile
SS-UV spectrum 1 nm resolution solid state diffuse reflectance measurement
355nm MALDI Spectrum355nm Negative ion spectrum acquired on a Bruker Autoflex III
355nm MALDI Spectrum 355nm Positive ion spectrum acquired on a Bruker Autoflex III


Sample Info:
Aldrich 98% PN: A7980-9 (lot #: 08204KZ)

Purification Information:

Notes:

References: