(2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
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Basic information
- CAS
16880-87-8- Standard SMILES
CN1Cc2ccccc2CC1CO- InChIKey
SWUVPLABKHJMQA-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
- IUPAC
- (2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
- English name
- (2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
(2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol16880-87-8DTXSID20343441RefChem:206137DTXCID20294520(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanolSCHEMBL6651633AKOS006334782CS-0241800EN300-2382272-methyl-1,2,3,4-tetrahydro-3-isoquinolinemethanol2-methyl -1,2,3,4-tetrahydro-3-isoquinolinemethanol
Show more names
3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-2-methyl-
1,2,3,4-Tetrahydro-3-hydroxymethyl-2-methylisoquinolineF2167-0188(2-Methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methanol #
Database identifiers
- CAS
16880-87-8- PubChem CID
- 589740
- DTXSID
DTXSID20343441- Nikkaji
- J1.400.476I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 106 · 106-107 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 124 · 124-125 °C(Press: 0.25 Torr)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- pka
- 14.57 · 14.57±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
5 records
Compound notes
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