6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
Basic information
- CAS
16620-96-5- Standard SMILES
COc1cc2c(cc1OC)CN(C)CC2- InChIKey
TXPPKWZEHFNZOE-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Overview
O-Methylcorypalline is a member of isoquinolines.
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
- IUPAC
- 6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
- English name
- Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.26888
Names & synonyms
6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINERefChem:538687683-442-216620-96-5O-Methylcorypalline6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolineN-Methylheliamine1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinoline6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolineISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-UK294JA983NSC-280726
Show more names
Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-
N-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolineCHEMBL555787BRN 0011592N-Methyl-corypallineNSC2807265-21-04-00479 (Beilstein Handbook Reference)UNII-UK294JA983SCHEMBL5525085
Database identifiers
- CAS
16620-96-5- PubChem CID
- 27694
- DTXSID
DTXSID90168082- ChEMBL
CHEMBL1196025、CHEMBL555787- ChEBI
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Melting Point82 °C
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 294 JA983 · UK294JA983
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
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
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: O-Methylcorypalline is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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