Methyl 4-amino-3-methylbenzoate (CAS 18595-14-7)

Methyl 4-amino-3-methylbenzoate (CAS 18595-14-7) is a chemical compound registered under number CAS 18595-14-7, with the molecular formula C₉H₁₁NO₂, and a molar mass of 165.19 g/mol.

The molecule contains 23 atoms connected by 23 chemical bonds. The full systematic IUPAC name of this compound is methyl 4-amino-3-methylbenzoate. 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 = 1.1 (positive value, a lipophilic compound), polar surface area PSA = 52.3 Ų, 1 donors and 3 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.

Wzór sumaryczny	C9H11NO2
Masa molowa	165.19 g/mol
IUPAC	methyl 4-amino-3-methylbenzoate
SMILES	CC1=C(C=CC(=C1)C(=O)OC)N
InChIKey	ZHIPSMIKSRYZFV-UHFFFAOYSA-N
logP (XLogP3)	1.1
PSA	52.3 Ų
HBD / HBA	1 / 3
PubChem CID	CID 2736799 ↗

Sygnał: Uwaga

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

Methyl 4-amino-3-methylbenzoate · 18595-14-7 · RefChem:157583 · DTXCID90322647 · 4-amino-3-methylbenzoic acid methyl ester · Methyl 4-Amino-3-Methyl-Benzoate · 4-amino-3-toluic acid methyl ester · MFCD00102230 · Benzoic acid, 4-amino-3-methyl-, methyl ester · methyl 3-methyl-4-aminobenzoate · methyl 4-amino-3-methylbenzenecarboxylate · 4-amino-m-toluic acid methyl ester · AKOS000113643 · CS-W002375 · HY-W002375

• 📊 PubChem CID 2736799 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność

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