Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate

HCID 566021

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40175-06-2
표준 SMILES: CCOC(=O)C1=CCN(C)CC1
InChIKey: GKMQAGZRPQBLHG-UHFFFAOYSA-N
분자식: C9H15NO2
평균 분자량: 169.22 g/mol
단동위원소 질량: 169.11027872

이름 및 식별자

우선 이름: Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate
IUPAC: ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
영어명: ETHYL 1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRI DINECARBOXYLATE, TECH., 85
분자식: C9H15NO2
분자량: 169.22

이름 및 동의어

Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylateRefChem:593335620-614-840175-06-2ethyl 1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylateethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylateCHEMBL123347SCHEMBL1971079GKMQAGZRPQBLHG-UHFFFAOYSA-DTXSID90340604YQF45354-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1-methyl-, ethyl ester

이름 더 보기

ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarbo1-Methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylic acid ethyl esterETHYL 1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRI DINECARBOXYLATE, TECH., 85%

MFCD00009779AKOS000120134ETHYL 1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRI DINECARBOXYLATE, TECH., 85SY363488G88402ethyl 1-methyl-1,2,3,6tetrahydro-4-pyridinecarboxylateEthyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate, technical grade, 85%InChI=1/C9H15NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h4H,3,5-7H2,1-2H3

데이터베이스 식별자

CAS: 40175-06-2
PubChem CID: 566021
DTXSID: DTXSID90340604
ChEMBL: CHEMBL123347
EC Number: 620-614-8
Nikkaji: J236.415H

물성

구조 계산 물성

XLogP: 0.9
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: 199

물리화학적 성질

끓는 점: 108 · 108-109.5 °C/15 mmHg(lit.)
밀도: 1.025 g/mL · 1.025 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.478(lit.)
인화점: 101 °C · 101 °C
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.09 · 8.09±0.40(Predicted)

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.