3-브로모-4-옥소-피페리딘-1-카르복실산에틸에스테르

Ethyl 3-bromo-4-oxopiperidine-1-carboxylate

HCID 13799628

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 95629-02-0
표준 SMILES: CCOC(=O)N1CCC(=O)C(Br)C1
InChIKey: DVJZXYGZKFZHQX-UHFFFAOYSA-N
분자식: C8H12BrNO3
평균 분자량: 250.09 g/mol
단동위원소 질량: 249.00006

이름 및 식별자

우선 이름: Ethyl 3-bromo-4-oxopiperidine-1-carboxylate
IUPAC: ethyl 3-bromo-4-oxopiperidine-1-carboxylate
현지명: 3-브로모-4-옥소-피페리딘-1-카르복실산에틸에스테르
영어명: 3-Bromo-4-oxo-piperidine-1-carboxylic acid ethyl ester
분자식: C8H12BrNO3
분자량: 250.09

이름 및 동의어

95629-02-0ethyl 3-bromo-4-oxopiperidine-1-carboxylateDTXSID70549830RefChem:343352DTXCID80500614Ethyl 3-bromo-4-oxo-piperidine-1-carboxylate3-bromo-4-oxo-piperidine-1-carboxylic acid ethyl esterMFCD067962181-carbethoxy-3-bromo-4-piperidone1-PIPERIDINECARBOXYLIC ACID, 3-BROMO-4-OXO-, ETHYL ESTER3-bromo-4-oxo-1-ethoxycarbonyl-piperidineethyl 3-bromo-4-oxo-1-piperidinecarboxylate

이름 더 보기

3-브로모-4-옥소-피페리딘-1-카르복실산에틸에스테르1CARBETHOXY-3-BROMO-4-PIPERIDONE1CARBETHOXY-3-BRONO-4-PIPERIDONEN-Carboethoxy-3-Bromo-4-Piperidone3-bromo-2-ethyl-4-oxo-1-piperidinecarboxylate3-Bromo-4-oxo-piperidine-1-caroboxylic acid ethyl ester

SCHEMBL160444ETHYL3-BROMO-4-OXO-PIPERIDINE-1-CARBOXYLATEDVJZXYGZKFZHQX-UHFFFAOYSA-NAKOS015897837AB29360FB56521DS-13082DB-080317

데이터베이스 식별자

CAS: 95629-02-0
PubChem CID: 13799628
DTXSID: DTXSID70549830
EC Number: 675-933-5

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 219

물리화학적 성질

끓는 점: 320.2 · 320.2±42.0 °C(Predicted)
밀도: 1.539 · 1.539±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -3.35 · -3.35±0.40(Predicted)
물리적 상태: solid
InChI: 1S/C8H12BrNO3/c1-2-13-8(12)10-4-3-7(11)6(9)5-10/h6H,2-5H2,1H3
InChIKey: DVJZXYGZKFZHQX-UHFFFAOYSA-N
SMILES: CCOC(N1CCC(C(C1)Br)=O)=O

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.