에틸1-메틸-4-피페리딘카르복실레이트

Ethyl 1-methylpiperidine-4-carboxylate

HCID 11062856CAS 24252-37-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C1CCN(C)CC1
InChIKey: JWXOOQCMGJBSML-UHFFFAOYSA-N
분자식: C9H17NO2
평균 분자량: 171.24 g/mol
단동위원소 질량: 171.12592878

이름 및 식별자

우선 이름: Ethyl 1-methylpiperidine-4-carboxylate
IUPAC: ethyl 1-methylpiperidine-4-carboxylate
현지명: 에틸1-메틸-4-피페리딘카르복실레이트
영어명: Ethyl 1-methyl-4-piperidinecarboxylate
분자식: C9H17NO2
분자량: 171.24

이름 및 동의어

Ethyl 1-methylpiperidine-4-carboxylate24252-37-7DTXSID80453777RefChem:342078DTXCID70404596687-432-9Ethyl 1-methyl-4-piperidinecarboxylateMFCD00130015ETHYL N-METHYLISONIPECOTATE1-Methyl-piperidine-4-carboxylic acid ethyl esterEthyl 1-methyl Piperidine-4-carboxylateSCHEMBL446501

이름 더 보기

에틸1-메틸-4-피페리딘카르복실레이트Ethyl N-Methyl piperidine-4-carboxylateEthyl 1-methylpiperidine-4-carboxylate 97%Ethyl 1-Methylpiperidine-4-carboxylate, 97+%Ethyl 1-methylpiperidine-4-carboxylate, 96%,1-methyl-4-piperidinecarboxylic acid ethyl ester1-Methyl-piperidin-4-carboxylic acid ethyl ester

Ethyl1-methylpiperidine-4-carboxylateAB03667AC-22456DS-13280SY0090661-methyl-4-piperdine carboxylic acid ethyl esterethyl 1-methyl-piperidine-4-carboxylateN-Methyl ethyl isonipecotate

데이터베이스 식별자

CAS: 24252-37-7
PubChem CID: 11062856
DTXSID: DTXSID80453777
EC Number: 687-432-9
Nikkaji: J629.375A

물성

구조 계산 물성

XLogP: 1
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 151

물리화학적 성질

끓는 점: 94 · 94-95 °C(Press: 12 Torr)
밀도: 0.963 g/mL · 0.963 g/mL at 25 °C
굴절률: 20 · n20/D1.450
인화점: 87 ℃ · 87℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: liquid
산도 계수 (pKa): 8.5 · 8.50±0.10(Predicted)
InChI: 1S/C9H17NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h8H,3-7H2,1-2H3
InChIKey: JWXOOQCMGJBSML-UHFFFAOYSA-N
SMILES: CCOC(=O)C1CCN(C)CC1

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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
ridadr: NA 1993 / PGIII
HS 번호: 29333990
risk_code: 37/38-41
hazard_code: Xi
safety_code: 26-36/37/39
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Reactant for synthesis of:Piperidine derivatives as inhibitors of S. aureus and E. coli enoyl-ACP reductaseGABAA receptor agonistsWater-soluble DNA-binding subunits for analogues of cytotoxic antibiotic CC-1065 and their prodrugsTricyclic pharmaceuticals5-HT3 antagonists