에틸4-피페리돈-3-카르복실산염염산염

3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)

HCID 107315

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4644-61-5
표준 SMILES: CCOC(=O)C1CNCCC1=O.Cl
InChIKey: RTYXWLMQWSFXNI-UHFFFAOYSA-N
분자식: C8H14ClNO3
평균 분자량: 207.65 g/mol
단동위원소 질량: 207.066221

이름 및 식별자

우선 이름: 3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)
IUPAC: ethyl 4-oxopiperidine-3-carboxylate;hydrochloride
현지명: 에틸4-피페리돈-3-카르복실산염염산염
영어명: Ethyl 4-piperidone-3-carboxylate hydrochloride
분자식: C8H14ClNO3
분자량: 207.65

이름 및 동의어

4644-61-5DTXSID90276035RefChem:1068522DTXCID402273903-PIPERIDINECARBOXYLIC ACID, 4-OXO-, ETHYL ESTER, HYDROCHLORIDE (1:1)225-073-8Ethyl 4-oxopiperidine-3-carboxylateETHYL 4-PIPERIDONE-3-CARBOXYLATE HYDROCHLORIDEethyl 4-oxopiperidine-3-carboxylate hydrochlorideETHYL 4-OXO-3-PIPERIDINECARBOXYLATE HYDROCHLORIDE3-Carbethoxy-4-piperidone hydrochlorideMFCD00043267

이름 더 보기

에틸4-피페리돈-3-카르복실산염염산염3-Carboethoxy-4-piperidone hydrochloride~Ethyl 4-oxo-piperidine-3-carboxylate hydrochlorideEthylesterHClTIMTEC-BB SBB003473LABOTEST-BB LT00455216(+/-)4-oxo-NipecoticacidEthyl 4-piperidoe-3-carboxylate3-Ethoxycarbonyl-4-piperidinoneEthyl-4-piperidone-3-carboxylateHCl

ethyl 4-oxopiperidine-3-carboxylate;hydrochlorideETHYL 4-PIPERIDONE-3-CARBOXYLATE HCL3-CARBETHOXY-4-PIPERIDONE HCl3-Ethoxycarbonyl-4-piperidone Hydrochloride3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochlorideEINECS 225-073-8ethyl 4-oxo-3-piperidinecarboxylate HClethyl 4-oxo-3-piperidine carboxylate hydrochloride

데이터베이스 식별자

CAS: 4644-61-5
PubChem CID: 107315
EC Number: 225-073-8

물성

구조 계산 물성

극성 표면적: 55.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 191

물리화학적 성질

녹는점: 169 · 169-175 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
수용성: 물에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 갈색으로
BRN: 3711279 · 3711279
InChI: InChI=1S/C8H13NO3.ClH/c1-2-12-8(11)6-5-9-4-3-7(6)10;/h6,9H,2-5H2,1H3;1H
InChIKey: RTYXWLMQWSFXNI-UHFFFAOYSA-N
SMILES: C1(CNCCC1=O)C(=O)OCC.Cl

화학적 성질

white to yellow crystalline powder

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 6 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26

화학 및 산업

응용 분야

용도Ethyl 4-piperidone-3-carboxylate, HCl

상·하류 제품 정보

상류 원료

하류 제품

N-Boc-3-카보에톡시-4-피페리돈 4-AMino-5,6-dihydro-2H-pyridine-1,3-dicarboxylicacid1-tert-butylester3-ethylester

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

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