2-Chloro-1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}ethan-1-one
Basic information
- CAS
730949-62-9- Standard SMILES
CCOc1ccc(CC2c3cc(OCC)c(OCC)cc3CCN2C(=O)CCl)cc1OCC- InChIKey
DMIXIQXPSOLPHG-UHFFFAOYSA-N- Molecular formula
- C26H34ClNO5
- Average molar mass
- 476 g/mol
- Monoisotopic mass
- 475.2125509
Names & identifiers
- Preferred name
- 2-Chloro-1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}ethan-1-one
- IUPAC
- 2-chloro-1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Names & synonyms
730949-62-92-chloro-1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}ethan-1-one2-Chloro-1-[1-(3,4-diethoxy-benzyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone2-chloro-1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone2-Chloro-1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl]ethanoneC26H34ClNO5STK993524AKOS005658134UPCMLD0ENAT0519-7813:001CS-0220242EN300-06156G38507
Show more names
Z569433622-chloro-1-[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl]ethanone
Database identifiers
- CAS
730949-62-9- PubChem CID
- 3801092
- EC Number
- 154-821-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 593
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…