8-Methoxyisoquinoline - CAS 1723-70-2

Catalog:	BB012819
Product Name:	8-Methoxyisoquinoline
CAS:	1723-70-2
Synonyms:	8-methoxyisoquinoline; 8-methoxyisoquinoline

Technical Data

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Computed Properties

IUPAC Name:	8-methoxyisoquinoline
Description:	8-Methoxyisoquinoline (CAS# 1723-70-2) is a reagent used in the synthesis and binding studies for SK Channel blockers related to N-methyllaudanosine and N-methylnoscapine.
Molecular Weight:	159.18
Molecular Formula:	C10H9NO
Canonical SMILES:	COC1=CC=CC2=C1C=NC=C2
InChI:	InChI=1S/C10H9NO/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-7H,1H3
InChI Key:	HHZGHKIHHIKUHK-UHFFFAOYSA-N
Boiling Point:	295.6 °C at 760 mmHg
Density:	1.13 g/cm³
LogP:	2.24340

Publication Number	Title	Priority Date
CN-112500342-A	Synthesis method of 8-methoxyisoquinoline	20201120
WO-2020132045-A1	Inhibitors of sarm1 in combination with neuroprotective agents	20181219
WO-2020081923-A1	Inhibitors of sarm1 in combination with nad+ or a nad+ precursor	20181019
WO-2020035070-A1	3-aryloxy-3-aryl-propylamine compound and uses thereof	20180817
US-2021261540-A1	Inhibitors of sarm1	20180607

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.068413911
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	159.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1