6-Aminoisoquinolin-1(2H)-one

Name: 6-Aminoisoquinolin-1(2H)-one
Brand: ChemScene
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CAS No. 216099-46-6
Cat. No. CS-0044971
Purity≥95%
MDL No.MFCD12547311

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 216099-46-6
Cat. No. CS-0044971
Purity ≥95%
MDL No. MFCD12547311
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈N₂O
Molecular Weight 160.17
Synonym(s) 6-Aminoisoquinolin-1-ol
SMILES O=C1NC=CC2=C1C=CC(N)=C2

Description

6-Aminoisoquinolin-1(2H)-one features a fused heterocyclic core with a strategically positioned amino group, enabling direct functionalization in medicinal chemistry. This scaffold integrates readily into bioactive molecules due to its planar structure and hydrogen-bonding capacity. The compound exhibits enhanced solubility and stability under standard conditions, facilitating use in synthetic workflows and target-oriented drug discovery.

Application

6-Aminoisoquinolin-1(2H)-one serves as a versatile scaffold for constructing biologically relevant heterocycles and pharmaceutical intermediates. The amino group enables direct functionalization, while the lactam carbonyl offers sites for derivatization or metal coordination. Its stability under standard reaction conditions facilitates use in cross-coupling, acylation, and cyclization protocols. This compound functions effectively as a building block in medicinal chemistry campaigns targeting kinase inhibitors and CNS-active agents.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

TPSA 58.88
LogP 1.1103
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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6-Aminoisoquinolin-1(2H)-one

CAS No. 216099-46-6

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