8-Chloro-1,2,3,4-tetrahydroisoquinoline - CAS 75416-50-1

Catalog:	BB035320
Product Name:	8-Chloro-1,2,3,4-tetrahydroisoquinoline
CAS:	75416-50-1
Synonyms:	8-chloro-1,2,3,4-tetrahydroisoquinoline; 8-chloro-1,2,3,4-tetrahydroisoquinoline

Technical Data

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Computed Properties

IUPAC Name:	8-chloro-1,2,3,4-tetrahydroisoquinoline
Description:	8-Chloro-1,2,3,4-tetrahydroisoquinoline (CAS# 75416-50-1) is a useful research chemical.
Molecular Weight:	167.64
Molecular Formula:	C9H10ClN
Canonical SMILES:	C1CNCC2=C1C=CC=C2Cl
InChI:	InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
InChI Key:	HQSAGIBNZOOQQL-UHFFFAOYSA-N
LogP:	2.31450

Publication Number	Title	Priority Date
CN-112876470-A	Method for synthesizing quinazolinone compound under nonmetal catalysis without additive	20191129
WO-2020106751-A1	Inhinitors of gli1 as therapeutic agents	20181119
CN-113316577-A	GLi1 inhibitors as therapeutic agents	20181119
EP-3883932-A1	Inhibitors of gli1 as therapeutic agents	20181119
KR-20210105899-A	GLi 1 inhibitors as therapeutics	20181119

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Related Functional Groups

Quinoline/Isoquinoline

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[13676-02-3]
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[4965-34-8]
7-Bromo-2-methylquinoline
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0501770
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.0501770
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2