2-Quinolinemethanol

HCID 73196CAS 1780-17-2

Substructure search Find similar structures

Basic information

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 Å²
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)
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
Risk Statements: 20 · 20/21/22-36/37/38-41-37/38
Safety Statements: 26 · 26-36/37/39-39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2933491090 · 2933491090

Safety & regulation

GHS classification

GHS Classification · 4 items

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: 2933491090
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.