4-(2-Piperidinoethoxy)benzoic acid hydrochloride

HCID 5743835

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 84449-80-9
標準SMILES: Cl.O=C(O)c1ccc(OCCN2CCCCC2)cc1
InChIKey: CMVTYSMYHSVDIU-UHFFFAOYSA-N
分子式: C14H20ClNO3
平均分子量: 285.76 g/mol
単同位体質量: 285.11317118

名称と識別子

優先名称: 4-(2-Piperidinoethoxy)benzoic acid hydrochloride
IUPAC: 4-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride

名称と別名

4-(2-Piperidinoethoxy)benzoic acid hydrochloride4-(2-Piperidinoethoxy)benzoic acid HClEINECS 282-882-9Benzoic acid, 4-(2-(1-piperidinyl)ethoxy)-, hydrochlorideBenzoic acid, 4-[2-(1-piperidinyl)ethoxy]-, hydrochloride4-[2-PIPERIDINOETHOXY]BENZOIC ACID HYDROCHLORIDERefChem:512740282-882-984449-80-94-(2-(Piperidin-1-yl)ethoxy)benzoic acid hydrochloride4-[2-(1-Pipiridine)ethoxybenzoic acid hydrochloride4-[2-(1-Piperidyl)ethoxy]benzoic Acid Hydrochloride

名称をさらに表示

MFCD06657755Raloxifene Benzoic Acid Impurity4-[2-(piperidin-1-yl)ethoxy]benzoic acid hydrochloride4-[2-(1-Piperidinyl)ethoxy]benzoic acid hydrochloride saltDTXSID40578414-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride4-(2-Piperidinoethoxy)benzoic acid hydrochloride(1:1)NCGC00253659-01

データベース識別子

CAS: 84449-80-9
PubChem CID: 5743835
DTXSID: DTXSID4057841
ChEMBL: CHEMBL3560778
UNII: NTU4PQ75KP
EC Number: 282-882-9

物性

構造計算による物性補完中

極性表面積: 49.8 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: 5
重原子数: 19
形式電荷: 0
複雑度: 256

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.