에틸1-피페리딘아세테이트

1-Piperidineacetic acid, ethyl ester

HCID 643466CAS 23853-10-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)CN1CCCCC1
InChIKey: LXZHLNWWDDNIOJ-UHFFFAOYSA-N
분자식: C9H17NO2
평균 분자량: 171.24 g/mol
단동위원소 질량: 171.12592878

이름 및 식별자

우선 이름: 1-Piperidineacetic acid, ethyl ester
IUPAC: ethyl 2-piperidin-1-ylacetate
현지명: 에틸1-피페리딘아세테이트
영어명: Ethyl 1-piperidineacetate
분자식: C9H17NO2
분자량: 171.24

이름 및 동의어

ethyl piperidin-1-ylacetateethyl 2-(piperidin-1-yl)acetate1-piperidineacetic acid, ethyl esterRefChem:435804607-278-8InChI=1/C9H17NO2/c1-2-12-9(11)8-10-6-4-3-5-7-10/h2-8H2,1HEthyl 1-piperidineacetate23853-10-3ethyl 2-piperidin-1-ylacetateMFCD00134496ethyl 2-(1-piperidyl)acetateEthyl (piperidin-1-yl)acetate

이름 더 보기

에틸1-피페리딘아세테이트ASISCHEM Z61669ETHYL PIPERDINOACETATEEthyl piperidinoacetateEthyl N-piperidinylacetateEthyl1-piperidineacetate,98%Ethyl 1-piperidineacetate 98%

ethyl 2-piperidylacetateEthyl Piperidine-1-Acetateethyl 1-piperidine acetateEthyl 2-PiperidinylacetateSCHEMBL865518SCHEMBL1377512SCHEMBL3587223Ethyl 1-piperidineacetate, 98%

데이터베이스 식별자

CAS: 23853-10-3
PubChem CID: 643466
DTXSID: DTXSID00349188
EC Number: 607-278-8
Nikkaji: J1.553.348J

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 141

물리화학적 성질

끓는 점: 109 · 109-111 °C/25 mmHg (lit.)
밀도: 0.984 g/mL · 0.984 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.453(lit.)
인화점: 196 °F · 196 °F
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 7.44 · 7.44±0.10(Predicted)
물리적 상태: liquid
Specific Gravity: 0.984 · 0.984
BRN: 123142 · 123142

화학적 성질

clear light yellow liquid

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933599590
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 2건

용도Reactant for synthesis of: Nicotinic acid receptor agonists for treatment of dyslipidemia 1-Alkylcyclanols with side chain functions Benzhydrylamides for pharmacochemical studiesReactant for: Elimination reactions Hydrogenation of esters to alcohols

일반 설명Ethyl 1-piperidineacetate (Piperidin-1-ylacetic acid ethyl ester) is an α-amino acid ethyl ester derivative. Thermal decomposition of ethyl 1-piperidineacetate in gas phase has been studied by ab initio theoretical methods. The kinetics of gas-phase decomposition of ethyl 1-piperidineacetate to the corresponding α-amino acid derivative and ethylene over the temperature range of 360-430°C and pressure range of 26-86Torr has been investigated. Alkylation reaction of ethyl 1-piperidineacetate with ethyl bromoacetate in absolute ethanol has been reported to obey second order kinetics.