2-(PIPERIDIN-4-YL)-아세트산에틸에스테르

Ethyl 2-(piperidin-4-yl)acetate

HCID 2760465CAS 59184-90-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)CC1CCNCC1
InChIKey: IHSUFLCKRIHFGY-UHFFFAOYSA-N
분자식: C9H17NO2
평균 분자량: 171.24 g/mol
단동위원소 질량: 171.12592878

이름 및 식별자

우선 이름: Ethyl 2-(piperidin-4-yl)acetate
IUPAC: ethyl 2-piperidin-4-ylacetate
현지명: 2-(PIPERIDIN-4-YL)-아세트산에틸에스테르
영어명: 2-(Piperidin-4-yl)-acetic acid ethyl ester
분자식: C9H17NO2
분자량: 171.24

이름 및 동의어

ethyl 2-(piperidin-4-yl)acetateRefChem:594044673-023-259184-90-62-(piperidin-4-yl)-acetic acid ethyl esterethyl piperidin-4-ylacetateethyl 2-piperidin-4-ylacetateMFCD021835754-Piperidineacetic acid, ethyl esterethyl 4-piperidineacetateEthyl 2-(4-piperidyl)acetateethyl 2-(4-piperidinyl)acetate

이름 더 보기

2-(PIPERIDIN-4-YL)-아세트산에틸에스테르methyl 2-(4-piperidyl)acetate4-piperidine Acetate Ethyl Ester2-piperidine Acetate Ethyl Estermethyl 2-piperidin-4-ylethanoatePIPERIDINE-4-YL-ACETIC ETHYL ESTER4-PIPERADINEACETIC ACID ETHYL ESTER

Ethyl 4-piperidinylacetateEthyl (piperidin-4-yl)acetateethyl 4-piperidine acetate4-(ethoxycarbonylmethyl)piperidine4-piperidineacetic acid ethyl esterCS-W002927EN300-304594-piperidine acetic acid ethyl ester

데이터베이스 식별자

CAS: 59184-90-6
PubChem CID: 2760465
DTXSID: DTXSID90375173
EC Number: 673-023-2
Nikkaji: J935.588J

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 141

물리화학적 성질

녹는점: 192 °C · 192 °C (decomp)
끓는 점: 67 °C/0.22mm · 67°C/0.22mm
밀도: 0.969 · 0.969±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 액체
산도 계수 (pKa): 10.41 · 10.41±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.