7-Quinolinemethanol

HCID 97609CAS 39982-49-5

基本情報

標準SMILES: OCc1ccc2cccnc2c1
InChIKey: RDBBFCMDRBOXIG-UHFFFAOYSA-N
分子式: C10H9NO
平均分子量: 159.18 g/mol
単同位体質量: 159.06841391

名称と識別子

優先名称: 7-Quinolinemethanol
IUPAC: quinolin-7-ylmethanol
英語名: 7-Hydroxymethyl quinoline
分子式: C10H9NO
分子量: 159.18

名称と別名

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

名称をさらに表示

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

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.3
極性表面積: 33.1 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 149

物理化学的性質

融点: 62 · 62-63 °C(Solv: benzene (71-43-2))
沸点: 334.8 · 334.8±17.0 °C(Predicted)
比重(密度): 1.218 · 1.218±0.06 g/cm3(Predicted)
酸解離定数(Pka): 13.96 · 13.96±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

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.