5,6-dimethoxy-2,3-dihydro-1H-isoindole hydrochloride
Basic information
- CAS
114041-17-7- Standard SMILES
COc1cc2c(cc1OC)CNC2.Cl- InChIKey
YDORVHRERXVLHY-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO2
- Average molar mass
- 215.67 g/mol
- Monoisotopic mass
- 215.0713064
Names & identifiers
- Preferred name
- 5,6-dimethoxy-2,3-dihydro-1H-isoindole hydrochloride
- IUPAC
- 5,6-dimethoxy-2,3-dihydro-1H-isoindole;hydrochloride
- English name
- 5,6-dimethoxyisoindoline hydrochloride
- Molecular formula
- C10H14ClNO2
- Molecular weight
- 215.67666
Names & synonyms
1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-, hydrochloride5,6-DIMETHOXY-2,3-DIHYDRO-1H-ISOINDOLE HYDROCHLORIDERefChem:528079895-825-3114041-17-75,6-dimethoxyisoindoline hydrochloride5,6-DIMETHOXYISOINDOLINE HCLMFCD112235645,6-dimethoxy-2,3-dihydro-1H-isoindole;hydrochloride1H-Isoindole, 2,3-dihydro-5,6-dimethoxy-, hydrochloride (9CI)SCHEMBL9871800SCHEMBL31193341
Show more names
1872332,3-Dihydro-5,6-dimethoxy-1H-Isoindole Hydrochloride
YDORVHRERXVLHY-UHFFFAOYSA-NDTXSID5013820605,6-dimethoxyisoindolinehydrochloride5,6-dimethoxyisoindoline;hydrochlorideAKOS030524898SB64566AS-42331DB-413338
Database identifiers
- CAS
114041-17-7- PubChem CID
- 20074350
- DTXSID
DTXSID501382060- EC Number
- 895-825-3
Properties
Computed structural properties
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
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
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-H315-H335-H319
- Precautionary statements
- P280-P305+P351+P338
Related reactions
3 records
Compound notes
Loading…