4-Aminoisoquinoline - CAS 23687-25-4

Catalog:	BB018141
Product Name:	4-Aminoisoquinoline
CAS:	23687-25-4
Synonyms:	isoquinolin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	isoquinolin-4-amine
Description:	Used for synthesis of Rho kinase inhibitors.
Molecular Weight:	144.17
Molecular Formula:	C9H8N2
Canonical SMILES:	C1=CC=C2C(=C1)C=NC=C2N
InChI:	InChI=1S/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2
InChI Key:	ISIUXVGHQFJYHM-UHFFFAOYSA-N
Boiling Point:	360 °C at 760 mmHg
Purity:	97 %
Density:	1.21 g/cm³
Appearance:	White to dark brown powder
MDL:	MFCD00034752
LogP:	2.39820

Publication Number	Title	Priority Date
CN-112170477-A	In-situ remediation method for pre-buried photocatalytic soil	20200917
CN-111909702-A	Environment-friendly soil remediation agent and preparation method thereof	20200904
WO-2021147699-A1	Pyridoheterocyclic compound, and preparation method therefor and use thereof	20200121
CN-111233692-A	Citronellac acid amide derivative and preparation method and application thereof	20200119
WO-2021136763-A1	Isoquinoline derivatives for use in treating glut1 deficiency syndrome	20191230

PMID	Publication Date	Title	Journal
17205595	20070101	Mechanistic study on rearrangement cascades starting from annulated 2-aza-hepta-2,4-dienyl-6-ynyl anions: formation of aniline and azepine derivatives	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.068748264
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4