4-(2-Piperidinoethoxy)benzoic acid hydrochloride

HCID 5743835CAS 84449-80-9

기본 정보

표준 SMILES: Cl.O=C(O)c1ccc(OCCN2CCCCC2)cc1
InChIKey: CMVTYSMYHSVDIU-UHFFFAOYSA-N
분자식: C14H20ClNO3
평균 분자량: 285.76 g/mol
단동위원소 질량: 285.11317118

이름 및 식별자

우선 이름: 4-(2-Piperidinoethoxy)benzoic acid hydrochloride
IUPAC: 4-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 49.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 256

안전 및 규제

GHS 분류

GHS Classification · 5건

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.