에틸4-하이드록시피페리딘-1-카복실레이트

Ethyl 4-hydroxypiperidine-1-carboxylate

HCID 96394CAS 65214-82-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)N1CCC(O)CC1
InChIKey: QABJNOSERNVHDY-UHFFFAOYSA-N
분자식: C8H15NO3
평균 분자량: 173.21 g/mol
단동위원소 질량: 173.10519334

이름 및 식별자

우선 이름: Ethyl 4-hydroxypiperidine-1-carboxylate
IUPAC: ethyl 4-hydroxypiperidine-1-carboxylate
현지명: 에틸4-하이드록시피페리딘-1-카복실레이트
영어명: Ethyl 4-hydroxypiperidine-1-carboxylate
분자식: C8H15NO3
분자량: 173.21

이름 및 동의어

Ethyl 4-hydroxypiperidine-1-carboxylate65214-82-6TR6D7H9MYK1-PIPERIDINECARBOXYLIC ACID, 4-HYDROXY-, ETHYL ESTEREINECS 265-636-5NSC-71891DTXSID50215521NSC 718914-OXYPIPERIDINE-1-CARBOXYLIC ACID ETHYL ESTERRefChem:138773DTXCID80138012265-636-5

이름 더 보기

에틸4-하이드록시피페리딘-1-카복실레이트N-CARBETHOXY-4-PIPERIDINOL1-CARBETHOXY-4-HYDROXYPIPERIDINEN-Carbethoxy-4-piperidino1-CARBETHOXY-4-PIPERIDINOLN-Carboethoxypiperidine-4-OlEthyl 4-Hydroxy-1-piperidineEthyl 4-hydroxypiperidine-1-Ethyl 4-hydroxypiperidine-1-ca1-ETHOXYCARBONYL-4-PIPERIDINOL

Ethyl 4-Hydroxy-1-piperidinecarboxylateMFCD00086880N-Carbethoxy-4-hydroxypiperidine4-Hydroxy-1-piperidinecarboxylic Acid Ethyl EsterNSC718911-(Ethoxycarbonyl)-4-hydroxypiperidineEbastine Impurity 23UNII-TR6D7H9MYK

데이터베이스 식별자

CAS: 65214-82-6
PubChem CID: 96394
DTXSID: DTXSID50215521
UNII: TR6D7H9MYK
EC Number: 265-636-5
Nikkaji: J27.984F

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 152

물리화학적 성질

끓는 점: 120 · 120-130 °C(Press: 0.098 Torr)
밀도: 1.12 · 1.12
굴절률: 1.4802 · 1.4802
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.8 · 14.80±0.20(Predicted)
색상: Colorless to Light yellow to Light orange
InChI: InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h7,10H,2-6H2,1H3
InChIKey: QABJNOSERNVHDY-UHFFFAOYSA-N
SMILES: N1(C(OCC)=O)CCC(O)CC1

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 09-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32629

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

안전 데이터

HS 번호: 29333990
safety_code: 24/25

화학 및 산업

응용 분야 · 1건

용도Ethyl 4-hydroxypethidine-1-carboxylate is mainly used as a pharmaceutical intermediate and a raw material for organic matter. It can be used in the synthesis of antihistamines, antipsychotics, antidepressants, and various pesticides. As an intermediate, the compound can also produce fungicides and insecticides. It can be used as a raw material for synthetic surfactants, flavors, and fragrances.