2-Quinolinemethanol
Basic information
- CAS
1780-17-2- Standard SMILES
OCc1ccc2ccccc2n1- InChIKey
HREHOXSRYOZKNT-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Overview
Quinoline-2-methanol is a member of quinolines.
Names & identifiers
- Preferred name
- 2-Quinolinemethanol
- IUPAC
- quinolin-2-ylmethanol
- English name
- 2-Quinolinylmethanol
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
1780-17-22-Quinolinemethanol2-HydroxymethylquinolineDTXSID60170410RefChem:473475DTXCID5092901217-225-72-Quinolinylmethanolquinolin-2-ylmethanol(Quinolin-2-yl)methanol2-Quinolylmethanol2-(Hydroxymethyl)quinoline
Show more names
α-Quinaldinol2-QUINOLINONERARECHEM AK ML 05562-Quinolineylmethanol4-Hydroxymethyl-2-pyrrolidinone
MFCD00086626Quinolinemethanolquinoline-2-methanolQuinolin-2-Yl-Methanol.alpha.-QuinaldinolNSC6506AKOS000278553SB67545
Database identifiers
- CAS
1780-17-2- PubChem CID
- 73196
- DTXSID
DTXSID60170410- ChEBI
CHEBI:225189- EC Number
- 217-225-7
- Nikkaji
- J47.684F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 64 °C · 64 °C
- Boiling point
- 205 °C · 205 °C(Press: 15 Torr)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.29 · 14.29±0.10(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 1780 · 1780-17-2(CAS DataBase Reference)
- Comptox DTXSID
- 60170410 · DTXSID60170410
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338+P310
- Hazard Codes
- Xi
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
Danger
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Safety data
- wgk
- 3
- hs_code
- 2933490090
- risk_code
- 20/21/22-36/37/38-41-37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-39
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P280-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
UsesIntermediate in the preparation of aminopiperidines and related compounds as MCH receptor modulators useful in the treatment of metabolic, feeding and sexual disorders in humans.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
25 records
Compound notes
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