7-Quinolinemethanol

HCID 97609CAS 39982-49-5

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1ccc2cccnc2c1
InChIKey: RDBBFCMDRBOXIG-UHFFFAOYSA-N
Molecular formula: C10H9NO
Average molar mass: 159.18 g/mol
Monoisotopic mass: 159.06841391

Names & identifiers

Preferred name: 7-Quinolinemethanol
IUPAC: quinolin-7-ylmethanol
English name: 7-Hydroxymethyl quinoline
Molecular formula: C10H9NO
Molecular weight: 159.18

Names & synonyms

7-Quinolinemethanol39982-49-5DTXSID90193016NSC 136486RefChem:106557DTXCID00115507quinolin-7-ylmethanol(QUINOLIN-7-YL)METHANOL7-quinolinylmethanol7-Hydroxymethyl quinolineMFCD037896227-quinolylmethanol

Show more names

(Quinolin-7-yl)methanol - [Q90560]

LN43ZM8Z3ANSC-1364867-(Hydroxymethyl)quinolinequinolin-7-yl methanolUNII-LN43ZM8Z3ASCHEMBL2865593SCHEMBL6598156SCHEMBL22121598

Database identifiers

CAS: 39982-49-5
PubChem CID: 97609
DTXSID: DTXSID90193016
UNII: LN43ZM8Z3A
EC Number: 845-378-5
Nikkaji: J501.110H

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: 62 · 62-63 °C(Solv: benzene (71-43-2))
Boiling point: 334.8 · 334.8±17.0 °C(Predicted)
Density: 1.218 · 1.218±0.06 g/cm3(Predicted)
pka: 13.96 · 13.96±0.10(Predicted)
FDA UNII: 43 ZM8Z3A · LN43ZM8Z3A
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P