1-벤질-3-에톡시카르보닐-4-피페리돈

Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate

HCID 102624

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 41276-30-6
표준 SMILES: CCOC(=O)C1CN(Cc2ccccc2)CCC1=O
InChIKey: ROSZJQBQGFBFSW-UHFFFAOYSA-N
분자식: C15H19NO3
평균 분자량: 261.32 g/mol
단동위원소 질량: 261.13649347

이름 및 식별자

우선 이름: Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate
IUPAC: ethyl 1-benzyl-4-oxopiperidine-3-carboxylate
현지명: 1-벤질-3-에톡시카르보닐-4-피페리돈
영어명: 1-Benzyl-3-ethoxycarbonyl-4-piperidone
분자식: C15H19NO3
분자량: 261.32

이름 및 동의어

41276-30-6ethyl 1-benzyl-4-oxopiperidine-3-carboxylateDTXSID10275984RefChem:593302DTXCID90227345959-511-01-Benzyl-3-ethoxycarbonyl-4-piperidone1-Benzyl-3-carbethoxy-4-piperidone1-Benzyl-3-carboethoxy-4-piperidoneMFCD00792540Ethyl1-benzyl-4-oxopiperidine-3-carboxylateEthyl 1-benzyl-4-oxo-3-piperidinecarboxylate

이름 더 보기

1-벤질-3-에톡시카르보닐-4-피페리돈-3-ethoxycarbonyLLABOTEST-BB LT00440756N-BENZYL-3-CARBOETHOXY-4-PIPERIDONE-Benzyl-3-ethoxycarbonyl-4-piperidone1-(benzyl)-4-keto-nipecotic acid ethyl esterethyl 4-oxo-1-(phenylmethyl)piperidine-3-carboxylate

3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester1-benzyl-4-oxo-piperidine-3-carboxylic acid ethyl ester3-piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, monohydrochlorideethyl 4-oxo-1-benzylpiperidine-3-carboxylateSCHEMBL159259ALBB-021312BP-12326BSBB057533

데이터베이스 식별자

CAS: 41276-30-6
PubChem CID: 102624
DTXSID: DTXSID10275984
EC Number: 959-511-0
Nikkaji: J27.979J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 323

물리화학적 성질

끓는 점: 379.7 · 379.7±42.0 °C(Predicted)
밀도: 1.154 · 1.154±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 10.77 · 10.77±0.20(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)

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