Description

6-Aminoisoquinoline (CAS: 23687-26-5) is a high-purity heterocyclic organic compound with the molecular formula C₉H₈N₂. This aromatic amine derivative of isoquinoline is a valuable building block in pharmaceutical and materials research, offering a reactive amino group at the 6-position for further functionalization. Our product is rigorously tested to ensure >98% purity by HPLC, with full characterization by ¹H/¹³C NMR and mass spectrometry. Supplied as a light yellow to beige crystalline powder, stable at room temperature when stored in airtight containers protected from light. Ideal for medicinal chemistry applications, coordination chemistry, and as a precursor for fluorescent dyes. Available in research quantities (100mg to 100g) with optional custom packaging and purity requirements.

Key Specifications:
– Molecular Weight: 144.17 g/mol
– Melting Point: 145-148°C
– Solubility: Soluble in ethanol, methanol, DMF; slightly soluble in water
– Storage: 2-8°C in dry conditions
– Hazard Codes: Xi (Irritant)

Properties

• CAS Number: 23687-26-5
• Complexity: 136
• IUPAC Name: isoquinolin-6-amine
• InChI: InChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2
• InChI Key: NGFCTYXFMDWFRQ-UHFFFAOYSA-N
• Exact Mass: 144.068748264
• Molecular Formula: C9H8N2
• Molecular Weight: 144.17
• SMILES: C1=CC2=C(C=CN=C2)C=C1N
• Topological: 38.9
• Monoisotopic Mass: 144.068748264
• Synonyms: 6-Aminoisoquinoline, 23687-26-5, DTXSID70343315, DTXCID90294395, 639-440-9, isoquinolin-6-amine, 6-Isoquinolinamine, Isoquinolin-6-ylamine, Isoquinoline, 6-amino-, MFCD04114862, CHEMBL28687, 6-amino-isoquinoline, BP6NQZ58UP, SCHEMBL112842, SCHEMBL2006035, 6-aminoisoquinoline, AldrichCPR, SCHEMBL29119722, BCP23492, BDBM50126281, AKOS006229814, AB19123, AC-5990, CS-W019654, PS-5598, SY021134, EN300-91889, Isoquinolin-6-ylamine; 6-Isoquinolinamine; isoquinolin-6-amine

Application

6-Aminoisoquinoline serves as a crucial intermediate in the synthesis of pharmaceutical compounds, particularly in developing kinase inhibitors and anticancer agents. Researchers utilize this scaffold in medicinal chemistry for structure-activity relationship studies due to its isoquinoline core’s biological relevance. The compound also finds application in materials science as a precursor for luminescent materials and metal-organic frameworks (MOFs).

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.