4-Piperidone
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기본 정보
- CAS
41661-47-6- 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 물성보충 중
- XLogP
- -0.7
- 극성 표면적
- 29.1 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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)
안전 데이터
- ridadr
- 1993
- HS 번호
- 2914390090
- risk_code
- 11-20/21/22
- safety_code
- 16-26-36/37/39
화학 및 산업
용도 및 제조
DEA Listed Chemicals
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
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).
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