Methyl 3-(aminomethyl)-4-fluorobenzoate hydrochloride

HCID 75422100CAS 1461707-50-5

基本情報

標準SMILES: COC(=O)c1ccc(F)c(CN)c1.Cl
InChIKey: AZGFTDQJMUWTAE-UHFFFAOYSA-N
分子式: C9H11ClFNO2
平均分子量: 219.64 g/mol

名称と識別子

優先名称: Methyl 3-(aminomethyl)-4-fluorobenzoate hydrochloride
IUPAC: methyl 3-(aminomethyl)-4-fluorobenzoate;hydrochloride

名称と別名

methyl 3-(aminomethyl)-4-fluorobenzoate hydrochloride1461707-50-5RefChem:814932847-069-0methyl 3-(aminomethyl)-4-fluorobenzoate;hydrochlorideSCHEMBL17077484AZGFTDQJMUWTAE-UHFFFAOYSA-NLIC70750DB-109258EN300-131240methyl3-(aminomethyl)-4-fluorobenzoatehydrochlorideZ1642389641

データベース識別子

CAS: 1461707-50-5
PubChem CID: 75422100
EC Number: 847-069-0

物性

構造計算による物性

極性表面積: 52.3 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 186

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)