7-Methoxy-1,2,3,4-Tetrahydroisoquinoline

HCID 417288

Notes Reactions

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Basic information

CAS: 43207-78-9
Standard SMILES: COc1ccc2c(c1)CNCC2
InChIKey: BPSLFSXCUJYFIR-UHFFFAOYSA-N
Molecular formula: C10H13NO
Average molar mass: 163.22 g/mol
Monoisotopic mass: 163.09971404

Overview

1,2,3,4-Tetrahydro-7-methoxyisoquinoline has been reported in Pachycereus weberi with data available.

Names & identifiers

Preferred name: 7-Methoxy-1,2,3,4-Tetrahydroisoquinoline
IUPAC: 7-methoxy-1,2,3,4-tetrahydroisoquinoline
English name: 7-Methoxy-1,2,3,4-tetrahydro-isoquinoline
Molecular formula: C10H13NO
Molecular weight: 163.22

Names & synonyms

7-methoxy-1,2,3,4-tetrahydroisoquinoline43207-78-9DTXSID50329096RefChem:106270DTXCID30204135824-626-61,2,3,4-Tetrahydro-7-methoxyisoquinoline7-Methoxy-1,2,3,4-tetrahydro-isoquinolineMFCD01444683ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-7-METHOXY-CHEMBL266407-Methoxy-1,2,3,4-tetrahydro-isoquinoline 1HCl salt

Show more names

m901054-tetrahydro-7-Methoxyisoquinoline hydrochloride1,2,3,4-tetrahydro-7-methoxyisoquinoline hydrochloride

NCIOpen2_001373SCHEMBL444147SCHEMBL746109AKOS BB-9298SCHEMBL295584427-methoxy-tetrahydro-isoquinolineBPSLFSXCUJYFIR-UHFFFAOYSA-NBDBM50024840

Database identifiers

CAS: 43207-78-9
PubChem CID: 417288
DTXSID: DTXSID50329096
ChEMBL: CHEMBL26640
EC Number: 824-626-6
Nikkaji: J708.186C

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 190 °C · 190 °C
Boiling point: 184 · 184-186 °C(Press: 50 Torr)
Density: 1.044 · 1.044±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 9.73 · 9.73±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501