CAS 4965-09-7 1-Methyl-1,2,3,4-tetrahydroisoquinoline (HCID 92214)

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Basic information

CAS: 4965-09-7
Standard SMILES: CC1NCCc2ccccc21
InChIKey: QPILYVQSKNWRDD-UHFFFAOYSA-N
Molecular formula: C10H13N
Average molar mass: 147.22 g/mol
Monoisotopic mass: 147.10479942

Overview

1-methyl-1,2,3,4-tetrahydroisoquinoline is a member of isoquinolines.

Names & identifiers

Preferred name: 1-Methyl-1,2,3,4-tetrahydroisoquinoline
IUPAC: 1-methyl-1,2,3,4-tetrahydroisoquinoline
English name: 1-methyl-1,2,3,4-tetrahydroisoquinoline
Molecular formula: C10H13N
Molecular weight: 147.22

Names & synonyms

1-Methyl-1,2,3,4-tetrahydroisoquinoline4965-09-71-M-ThiqIsoquinoline, 1,2,3,4-tetrahydro-1-methyl-DTXSID70897161B8PA6UPV68RefChem:76188DTXCID20837294803-804-7N-Methyl-1,2,3,4-tetrahydroisoquinolineMFCD007989891-Methyl-1,2,3,4-tetrahydro-isoquinoline

Show more names

1MeTIQ1Methyltetrahydroisoquinoline1-Methyl-2,3,4-tetrahydroisoquinoline1-Methyl-1,2,3,4-tetrahydroisoquinoline,95%4965-09-7 (1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE)

CHEMBL95456SCHEMBL327738CHEBI:125372CS-W002686AC-82711,2,3,4-Tetrahydro-1-methylisoquinoline(R)-1-Methyl-1,2,3,4-tetrahydro-isoquinoline(s)-1-methyl-1,2,3,4-tetrahydro-isoquinoline

Database identifiers

CAS: 4965-09-7
PubChem CID: 92214
DTXSID: DTXSID70897161
ChEMBL

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 119 ℃/18mm · 119℃/18mm
Density: 0.966 · 0.966±0.06 g/cm3(Predicted)
RTECS: 5087850 · NX5087850
refractive index: 1.557 to · 1.5570 to 1.5610
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
form: Liquid
pka: 9.73 · 9.73±0.40(Predicted)
color: Pale yellow
Water Solubility: Slightly soluble in water.
CAS DataBase Reference: 4965 · 4965-09-7
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.6%): 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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Safety data

hs_code: 2933499090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.

Applications · 1 item

Uses1-Methyl-1,2,3,4-tetrahydroisoquinoline (1MeTIQ) is an endogenous antidepressant and parkinsonism-preventing substance that demonstrates neuroprotectiveactivity. Following systemic administration in rats, 1-Methyl-1,2,3,4-tetrahydroisoquinoline produces antidepressant-like effect similar to the effect of imipramine. 1MeTIQ is a reversible short-acting moderate inhibitor of MAO A/B. Also known as 1,2,3,4-Tetrahydro-1-methylisoquinoline, 1MeTIQ. It is an important raw material and intermediate for revaprazan and pharmaceutical.