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

HCID 205700

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 18513-77-4
標準SMILES: CCOC(=O)C1=CCCNC1.Cl
InChIKey: MIRJGPRWVWWNQH-UHFFFAOYSA-N
分子式: C8H14ClNO2
平均分子量: 191.65 g/mol
単同位体質量: 191.0713064

名称と識別子

優先名称: Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride
IUPAC: ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochloride

名称と別名

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

名称をさらに表示

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)

データベース識別子

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

物性

構造計算による物性

極性表面積: 38.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 175

安全と法規制

GHS分類

GHS Classification · 5 件

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.