Basic information
- Standard SMILES
COc1ccc2c(c1)CCNC2.Cl- InChIKey
QIUIKPQXMJJOQT-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO
- Average molar mass
- 199.68 g/mol
- Monoisotopic mass
- 199.07639175
Names & identifiers
- Preferred name
- 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
- IUPAC
- 6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
Names & synonyms
6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochlorideRefChem:543534676-564-257196-62-0MFCD01717328Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-, hydrochloride6-Methoxy-1,2,3,4-tetrahydroisoquinolinehydrochloride6-METHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDEF3111-01206-Methoxy-1,2,3,4-tetrahydro-isoquinoline HCl6-methoxy-1,2,3,4-tetrahydroisoquinoline HClSCHEMBL587493
Show more names
orb31437556-methoxy-1,2,3,4-tetraihydroisoquinoline hydrochlorideDTXSID50972647QIUIKPQXMJJOQT-UHFFFAOYSA-N6-Methoxy-1,2,3,4-tetrahydroisSMSSF-0535971CS-M3403TYD-03093
Database identifiers
- CAS
57196-62-0- PubChem CID
- 2920335
- DTXSID
DTXSID50972647- EC Number
- 676-564-2
Properties
Computed structural properties
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Related reactions
13 records
Linked notes
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