2-(Piperidin-1-yl)acetic acid hydrochloride

HCID 201096CAS 3235-68-5

기본 정보

표준 SMILES: Cl.O=C(O)CN1CCCCC1
InChIKey: WKVJGLBBPPFCGD-UHFFFAOYSA-N
분자식: C7H14ClNO2
평균 분자량: 179.64 g/mol
단동위원소 질량: 179.07130637

이름 및 식별자

우선 이름: 2-(Piperidin-1-yl)acetic acid hydrochloride
IUPAC: 2-piperidin-1-ylacetic acid;hydrochloride

이름 및 동의어

2-(piperidin-1-yl)acetic acid hydrochlorideRefChem:461849817-498-83235-68-5Piperidin-1-yl-acetic acid hydrochloride1-Piperidineacetic acid, hydrochloridePiperidinoacetic acid hydrochloride(Piperidin-1-yl)acetic acid hydrochlorideMFCD01701566Piperidin-1-ylacetic acid hydrochloride2-piperidin-1-ylacetic acid;hydrochlorideN-Carboxymethylpiperidine hydrochloride

이름 더 보기

2-(1-piperidyl)acetic acid;hydrochlorideMLS000715451SCHEMBL863867CHEMBL1546923DTXSID60186071WKVJGLBBPPFCGD-UHFFFAOYSA-NDAA235681-piperidineacetic acid hydrochloride

데이터베이스 식별자

CAS: 3235-68-5
PubChem CID: 201096
DTXSID: DTXSID60186071
ChEMBL: CHEMBL1546923
EC Number: 817-498-8

물성

구조 계산 물성

극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

실험 및 물리화학적 성질

Solubility23.8 [ug/mL] (The mean of the results at pH 7.4)

안전 및 규제

GHS 분류

GHS Classification · 4건

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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.