4-Phenyl-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
75626-12-9- Standard SMILES
c1ccc([C@H]2CNCc3ccccc32)cc1- InChIKey
OSZMNJRKIPAVOS-OAHLLOKOSA-N- Molecular formula
- C15H15N
- Average molar mass
- 209.29 g/mol
- Monoisotopic mass
- 209.12044948
Overview
RN given is for (R)-isomer; inhibits spinal reflex-enhancing effects of methamphetamine, phenylethylamine, and nomifensine
Names & identifiers
- Preferred name
- 4-Phenyl-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- (4R)-4-phenyl-1,2,3,4-tetrahydroisoquinoline
- English name
- 4-phenyl-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C15H15N
- Molecular weight
- 209.29
Names & synonyms
89160-45-24PTIQDTXSID401008677RefChem:100335DTXCID901435510828-961-94-Phenyl-1,2,3,4-tetrahydroisoquinoline(R)-4-Phenyl-1,2,3,4-tetrahydroisoquinoline(4R)-4-phenyl-1,2,3,4-tetrahydroisoquinolineTocris-0730Isoquinoline, 1,2,3,4-tetrahydro-4-phenyl-, (R)-CHEMBL1316537
Show more names
NCGC00024755-01SY467967I81703F575582
Database identifiers
- CAS
75626-12-9、89160-45-2- PubChem CID
- 128944
- DTXSID
DTXSID401008677- ChEMBL
CHEMBL1316537- EC Number
- 828-961-9
- Nikkaji
- J2.020.769H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 343.962 · 343.962±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.065 · 1.065±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.204 · 9.204±0.40(predicted)
- HS Code
- 2933490090 · 2933490090
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
- hs_code
- 2933490090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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