1-벤질-4-피페리돈

1-벤질-4-피페리돈 · N-벤질-4-피페리돈 · 1-BENZYLPIPERIDIN-4-ONE · N-BENZYL-4-PIPERIDONE · 1-BENZYL-4-PIPERIDONE · -4-piperidone · Benzyl piperidone · N-Benzylpiperidin-4-one

https://huagongshe.com/ko/chemical/19220

식별자 및 물리적 특성

CAS No.	3612-20-2
분자식	C12H15NO
평균 분자량	189.25 g/mol
단동위원소 질량	189.1153641 g/mol
SMILES	O=C1CCN(Cc2ccccc2)CC1
InChIKey	SJZKULRDWHPHGG-UHFFFAOYSA-N
PubChem CID	19220
ChEMBL	CHEMBL491630
EC No.	222-782-4
DTXSID	DTXSID30189695
현지명	1-벤질-4-피페리돈

화학 및 물리적 성질

XLogP	1.2
극성 표면적	20.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	14
형식 전하	0
복잡도	186
물질 분류	Nitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials Properties	Chemical shift
Physical Description	Yellow liquid[Alfa Aesar MSDS]
끓는 점	134 °C7 mm Hg(lit.)
밀도	1.021 g/mL at 25 °C(lit.)
증기압	0.079-0.15Pa at 20-25℃
굴절률	n20/D 1.541(lit.)
인화점	>230 °F
저장 조건	2-8°C
용해도	12g/L
물리적 상태	기름진 액체
pKa(산도 계수)	7.07±0.20(Predicted)
비중	1.021
색상	무색투명~연노랑
용해도	12g/L(20℃)
BRN	128556
InChI	1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey	SJZKULRDWHPHGG-UHFFFAOYSA-N
SMILES	O=C1CCN(CC1)Cc2ccccc2
LogP(분배 계수)	2.1 at 20℃ and pH9
NIST	4-Piperidinone, 1-(phenylmethyl)-(3612-20-2)

화학적 성질

Clear colorless to straw coloured oily liquid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 1.2% (1 of 84) of reports.WarningH302 (46.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 84 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 4-Piperidinone, 1-(phenylmethyl)-Status: Active Update: 07-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/225384-Piperidinone, 1-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Not a skin or eye irritant in rabbitsMay cause skin sensitizationHarmful by ingestion[Alfa Aesar MSDS] Search for (3612-20-2[EC/RN Number]) AND (sensitizer OR sensitization OR dermatitis OR allergic): no results[PubMed] See 1-Methyl-4-piperidone.
Hazard Classes and Categories	Acute Tox. 4 (46.4%)
유해 작용	Skin Sensitizer - An agent that can induce an allergic reaction in the skin.
수질 위해 등급(WGK)	3
관세 코드	29333999
위험 문구(R)	36/37/38-43-22-20/21/22
위험 표시	Xi,Xn
안전 문구(S)	26-36-37/39
위험 참고 사항	Irritant
위험 등급	Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
저장 분류	10 - Combustible liquids

용도

A substituted piperidine as pesticide