4-Piperidone

HCID 33721CAS 41661-47-6

기본 정보

표준 SMILES: O=C1CCNCC1
InChIKey: VRJHQPZVIGNGMX-UHFFFAOYSA-N
분자식: C5H9NO
평균 분자량: 99.13 g/mol
단동위원소 질량: 99.06841391

이름 및 식별자

우선 이름: 4-Piperidone
IUPAC: piperidin-4-one
영어명: 4-Piperidinone
분자식: C5H9NO
분자량: 99.13

이름 및 동의어

4-Piperidone4-Piperidinone15WP1EA7UHEINECS 255-481-1UNII-15WP1EA7UH.GAMMA.-PIPERIDINONEDTXSID50194488GAMMA-PIPERIDINONERefChem:100408DTXCID60116979255-481-14-piperidone (piperidin-4-one), its acetals, its amides, its carbamates, its salts, and salts of its acetals, its amides, and its carbamates, and any combination thereof, whenever the existence of such is possible.

이름 더 보기

4-piperidinLUBE-013γ-Piperidone1-yl)acetyl)-4-Piperidinonγ-Piperidinone

VRJHQPZVIGNGMX-UHFFFAOYSA-Npiperidin-4-one41661-47-64-oxopiperidine4piperidone4-oxo-piperidinepiperid-4-one4-Piperidone, AldrichCPR

데이터베이스 식별자

CAS: 41661-47-6
PubChem CID: 33721
DTXSID: DTXSID50194488
UNII: 15WP1EA7UH
EC Number: 255-481-1
Nikkaji: J16.026A

물성

구조 계산 물성

XLogP: -0.7
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 72

물리화학적 성질

끓는 점: 175.1 · 175.1±15.0 °C(Predicted)
밀도: 1.001 · 1.001±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.95 · 8.95±0.20(Predicted)
물리적 상태: 고체
색상: 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.

유해성 정보

Regulatory Information · 1건

List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

규제 정보

Regulatory Information · 1건

안전 데이터

ridadr: 1993
HS 번호: 2914390090
risk_code: 11-20/21/22
safety_code: 16-26-36/37/39
위험 등급: IRRITANT

화학 및 산업

용도 및 제조

DEA Listed Chemicals · 2건

4-piperidone (piperidin-4-one), its acetals, its amides, its carbamates, its salts, and salts of its acetals, its amides, and its carbamates, and any combination thereof, whenever the existence of such is possible.

A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)

응용 분야 · 2건

개요4-Piperidinone is a derivative of piperidine with the molecular formula C5H9NO. 4-Piperidone is used as an intermediate in the manufacture of chemicals and pharmaceutical drugs.Piperidones are a class of chemical compounds sharing the piperidone skeleton. A classic named reaction for the synthesis of piperidones is the Petrenko-Kritschenko piperidone synthesis which involves combining an alkyl-1,3-acetonedicarboxylate with benzaldehyde and an amine. This multicomponent reaction is related to the Hantzsch pyridine synthesis.

용도4-Piperidone monohydrate hydrochloride was used in the generation of compound libraries based on sub-reactions of an Ugi multicomponent reaction (MCR).