Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride (1:1)

HCID 165576CAS 7149-10-2

基本情報

標準SMILES: COc1cc(CN)ccc1O.Cl
InChIKey: PUDMGOSXPCMUJZ-UHFFFAOYSA-N
分子式: C8H12ClNO2
平均分子量: 189.64 g/mol
単同位体質量: 189.0556563

名称と識別子

優先名称: Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride (1:1)
IUPAC: 4-(aminomethyl)-2-methoxyphenol;hydrochloride

名称と別名

7149-10-2Vanillylamine hydrochloride4-Aminomethyl-2-methoxyphenol hydrochlorideYD97FX0LRFNSC-62020Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride (1:1)DTXSID70221705RefChem:901718DTXCID60144196230-468-34-Hydroxy-3-methoxybenzylamine hydrochloride4-(aminomethyl)-2-methoxyphenol hydrochloride

名称をさらに表示

Vanillylamine HClMFCD00012864vanillyl amine HCl4-HYDROXY-3-METHOXYBENZYLAMINE HCl4-(aminomethyl)-2-methoxyphenol;hydrochlorideVanillylamine (hydrochloride)HY-W015211AC-4782

データベース識別子

CAS: 7149-10-2
PubChem CID: 165576
DTXSID: DTXSID70221705
UNII: YD97FX0LRF
EC Number: 230-468-3

物性

構造計算による物性

極性表面積: 55.5 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 119

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.9%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.