1,2,3,4-Tetrahydroisoquinolin-2-ium;chloride
Basic information
- CAS
14099-81-1- Standard SMILES
[Cl-].c1ccc2c(c1)CC[NH2+]C2- InChIKey
MGFREDWKELGWML-UHFFFAOYSA-N- Molecular formula
- C9H12ClN
- Average molar mass
- 169.65 g/mol
- Monoisotopic mass
- 169.0658271
Overview
See also: 1,2,3,4-Tetrahydroisoquinoline Hydrochloride (preferred).
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydroisoquinolin-2-ium;chloride
- IUPAC
- 1,2,3,4-tetrahydroisoquinolin-2-ium chloride
- English name
- 1,2,3,4-Tetrahydroisoquinoline hydrochloride
- Molecular formula
- C9H12ClN
- Molecular weight
- 169.65
Names & synonyms
1,2,3,4-tetrahydroisoquinolin-2-ium;chlorideCompound Fr16648TIMTEC-BB SBB0038601,2,3,4-Tetrahydroisoquinoline HCl3,5-dimethyl-2-(1-pyrrolyl)pyrazine1,2,3,4-tetrahydro-isoquinolinhydrochloride1,2,3,4-Tetrahydroisoquinoline hydrochlorideIsoquinoline, 1,2,3,4-tetrahydro-, hydrochloride1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE 98+%1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE ISO 9001：2015 REACH
Database identifiers
- CAS
14099-81-1- PubChem CID
- 26459
Properties
Computed structural properties
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 198 · 198-202 °C
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- almost transparency
- CAS DataBase Reference
- 14099 · 14099-81-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 36 · 36/37/39-26-37/39
- RTECS
- 5075000 · NX5075000
- HS Code
- 29334990 · 29334990
- Toxicity
- 50 · mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- NX5075000
- hs_code
- 29334990
- Toxicity
- mouse,LD50,intraperitoneal,303mg/kg (303mg/kg),Journal of Medicinal Chemistry. Vol. 18, Pg. 1194, 1975.
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 36/37/39-26-37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Additional notes
DefinitionChEBI: 1,2,3,4-Tetrahydroisoquinoline hydrochloride is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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