7-Chloro-8-methyl-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
1066822-69-2- Standard SMILES
Cc1c(Cl)ccc2c1CNCC2- InChIKey
HOWCTDLHUWDSAG-UHFFFAOYSA-N- Molecular formula
- C10H12ClN
- Average molar mass
- 181.66 g/mol
- Monoisotopic mass
- 181.0658271
Names & identifiers
- Preferred name
- 7-Chloro-8-methyl-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 7-chloro-8-methyl-1,2,3,4-tetrahydroisoquinoline
Names & synonyms
7-chloro-8-methyl-1,2,3,4-tetrahydroisoquinoline1066822-69-2RefChem:546243879-003-1EN300-365303
Database identifiers
- CAS
1066822-69-2- PubChem CID
- 84658261
- EC Number
- 879-003-1
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
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%)
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Related reactions
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Compound notes
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