5-Aminoisophthalic acid

5-Aminoisophthalic acid is a chemical compound registered under number CAS 99-31-0, with the molecular formula C₈H₇NO₄, and a molar mass of 181.15 g/mol.

The molecule contains 20 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is 5-aminobenzene-1,3-dicarboxylic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0.3 (positive value, a lipophilic compound), polar surface area PSA = 101 Ų, 3 donors and 5 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C8H7NO4
Masa molowa	181.15 g/mol
IUPAC	5-aminobenzene-1,3-dicarboxylic acid
SMILES	C1=C(C=C(C=C1C(=O)O)N)C(=O)O
InChIKey	KBZFDRWPMZESDI-UHFFFAOYSA-N
logP (XLogP3)	0.3
PSA	101 Ų
HBD / HBA	3 / 5
PubChem CID	CID 66833 ↗

Signal word: Warning

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

5-Aminoisophthalic acid · 99-31-0 · 1,3-Benzenedicarboxylic acid, 5-amino- · 3,5-Dicarboxyaniline · Isophthalic acid, 5-amino- · 5R25Y7Y34D · NSC-60141 · RefChem:532433 · DTXCID5049102 · 202-748-5 · 5-Aminobenzene-1,3-dicarboxylic acid · MFCD00002522 · 5-Amino-1,3-isophthalic acid · 5-AMINO-1,3-BENZENEDICARBOXYLIC ACID · 5-amino-isophthalic acid

• 📊 PubChem CID 66833 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność