(1,2,3,4-Tetrahydro-isoquinolin-3-yl)-methanol
Basic information
- CAS
63006-93-9- Standard SMILES
OCC1Cc2ccccc2CN1- InChIKey
ZSKDXMLMMQFHGW-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- (1,2,3,4-Tetrahydro-isoquinolin-3-yl)-methanol
- IUPAC
- 1,2,3,4-tetrahydroisoquinolin-3-ylmethanol
- English name
- 1,2,3,4-Tetrahydroisoquinoline-3-methanol
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
(1,2,3,4-Tetrahydro-isoquinolin-3-yl)-methanolRefChem:104919163006-93-9(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanol1,2,3,4-tetrahydroisoquinolin-3-ylmethanol1,2,3,4-Tetrahydroisoquinoline-3-methanol62928-94-3rac 1,2,3,4-Tetrahydroisoquinoline-3-methanol1,2,3,4-tetrahydro-3-isoquinolinemethanolMFCD022594183-Hydroxymethyl-1,2,3,4-tetrahydroisoquinolineCHEMBL60068
Show more names
AKOS BB-88341,2,3,4-Tetrahydro-3-isoquinolinemethano3-IsoquinolineMethanol,1,2,3,4-tetrahydro-
F2147-16273-Isoquinolinemethanol, 1,2,3,4-tetrahydro-(3r)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanolChemDiv2_0032413-Hydroxymethyl-1,2,3,4-tetrahydro-isoquinolineAE-641/40197878SCHEMBL894207orb3029651
Database identifiers
- CAS
63006-93-9- PubChem CID
- 3752277
- ChEMBL
CHEMBL60068- Nikkaji
- J1.173.197J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 180 · 180-182C
- Boiling point
- 83 · 83-85 °C(Press: 0.3 Torr)
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- soluble in Dichloromethane
- form
- Crystalline
- pka
- 14.57 · 14.57±0.10(Predicted)
- Appearance
- light yellow solid
- Water Solubility
- Soluble in dichloromethane. Slightly soluble in water.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
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
- hs_code
- 2933499090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usesrac 1,2,3,4-Tetrahydroisoquinoline-3-methanol (cas# 63006-93-9) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
12 records
Compound notes
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