1-(Chloromethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

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Basic information

CAS: 91494-65-4
Standard SMILES: COc1cc2c(cc1OC)C(CCl)=NCC2
InChIKey: GSJCDIYPXGPPGI-UHFFFAOYSA-N
Molecular formula: C12H14ClNO2
Average molar mass: 239.7 g/mol
Monoisotopic mass: 239.0713064

Names & identifiers

Preferred name: 1-(Chloromethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
IUPAC: 1-(chloromethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

Names & synonyms

1-(chloromethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline91494-65-4DTXSID50328882RefChem:226375DTXCID102799871-chloromethyl-6,7-dimethoxy-3,4-dihydro-isoquinoline1-Chloromethyl-6,7-dimethoxy-3,4-dihydroisoquinolineSCHEMBL10737635AKOS005207726CS-0457909EN300-241857

Database identifiers

CAS: 91494-65-4
PubChem CID: 414797
DTXSID: DTXSID50328882
EC Number: 688-651-2
Nikkaji: J709.104D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 30.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 270

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

0 records

New reaction record

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Compound notes

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