Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride

HCID 205700

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 18513-77-4
표준 SMILES: CCOC(=O)C1=CCCNC1.Cl
InChIKey: MIRJGPRWVWWNQH-UHFFFAOYSA-N
분자식: C8H14ClNO2
평균 분자량: 191.65 g/mol
단동위원소 질량: 191.0713064

이름 및 식별자

우선 이름: Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride
IUPAC: ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochloride

이름 및 동의어

Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, ethyl ester, hydrochloride (1:1)RefChem:593186840-275-118513-77-4Ethyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate hydrochloride3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, ethyl ester, hydrochlorideethyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochlorideSCHEMBL7923304DTXSID90171718MIRJGPRWVWWNQH-UHFFFAOYSA-NFA74012

이름 더 보기

G49105EN300-6736438Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate HCl1,2,5,6-tetrahydropyridine-3-carboxylic acid ethyl ester hydrochlorideEthyl 1,2,5,6-tetrahydropyridine-3-carboxylate--hydrogen chloride (1/1)

데이터베이스 식별자

CAS: 18513-77-4
PubChem CID: 205700
DTXSID: DTXSID90171718
EC Number: 840-275-1

물성

구조 계산 물성

극성 표면적: 38.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 175

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.