2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-ol
Basic information
- CAS
88014-15-7- Standard SMILES
OCCN1CCc2ccccc2C1- InChIKey
WLRXAYDWKJAYPS-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-ol
- IUPAC
- 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol
- English name
- 2-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-ETHANOL
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-olRefChem:450247857-147-688014-15-72-(3,4-Dihydroisoquinolin-2(1H)-yl)ethanol2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanolMFCD080598092(1H)-Isoquinolineethanol,3,4-dihydro-N-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolineNSC59014SCHEMBL216386SCHEMBL1193409
Show more names
2(1H)-Isoquinolineethanol, 3,4-dihydro-2-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-ETHANOL2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanol(SALTDATA: FREE)
SCHEMBL1451973SCHEMBL1951737SCHEMBL4144104SCHEMBL7383513CHEMBL4559595SCHEMBL30381429DTXSID20289097WLRXAYDWKJAYPS-UHFFFAOYSA-N
Database identifiers
- CAS
88014-15-7- PubChem CID
- 246288
- DTXSID
DTXSID20289097- ChEMBL
CHEMBL4559595- EC Number
- 857-147-6
- Nikkaji
- J1.993.969C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- form
- solid
- InChI
- 1S/C11H15NO/c13-8-7-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,13H,5-9H2
- InChIKey
- WLRXAYDWKJAYPS-UHFFFAOYSA-N
- SMILES
- OCCN1CC2=CC=CC=C2CC1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
3 records
Compound notes
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