4-피페리돈염산염수화물

Piperonylamine

HCID 2723901CAS 320589-77-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cl.O.O=C1CCNCC1
InChIKey: SXWRTZOXMUOJER-UHFFFAOYSA-N
분자식: C5H12ClNO2
평균 분자량: 153.61 g/mol
단동위원소 질량: 153.0556563

이름 및 식별자

우선 이름: Piperonylamine
IUPAC: piperidin-4-one;hydrate;hydrochloride
현지명: 4-피페리돈염산염수화물
영어명: 4-Piperidone hydrochloride hydrate
분자식: C5H9NO.ClH.H2O
분자량: 153.61

이름 및 동의어

320589-77-34-piperidinone hydrochloride hydrateEINECS 254-779-9RefChem:8636251,3Benzodioxole5methylamineBenzo1,3dioxole5methylamine3,4(Methylenedioxy)benzylamine110-903-2PiperonylaminePiperidin-4-one hydrochloride hydrate4-piperidone hydrochloride monohydrate4-piperidone hydrochloride hydrate

이름 더 보기

4-피페리돈염산염수화물TIMTEC-BB SBB0040364-Piperidinone HCl H2OPiperidone Hydrochloride Monohydrate4-Piperidinone, hydrochloride, hydrate4-Piperidinone,hydrochloride, hydrate (1:1:1)Search Results Web results 4-Piperidinone monohydrate hydrochloride CAS 320589-77-3

piperidin-4-one hydrate hydrochloride4-Piperidinone, hydrochloride, monohydratepiperidin-4-one;hydrate;hydrochlorideMFCD001506164-Piperidone monohydrate, HCl4-piperidinone monohydrate hydrochloride4-Piperidone hydrate hydrochloride4-piperidinone hydrate hydrochloride

데이터베이스 식별자

CAS: 320589-77-3、40064-34-4
PubChem CID: 2723901
DTXSID: DTXSID80960517
UNII: 8KV84ZVM5K
EC Number: 110-903-2

물성

구조 계산 물성

극성 표면적: 30.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 72.1

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

Physical DescriptionClear dark yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 94 · 94~96℃
저장 조건: 30 °C · Store below +30°C.
수소이온지수(pH): 4 · 4.0-5.5 (100g/L in H2O)
InChI: 1S/C5H9NO.ClH.H2O/c7-5-1-3-6-4-2-5;;/h6H,1-4H2;1H;1H2
InChIKey: SXWRTZOXMUOJER-UHFFFAOYSA-N
SMILES: [Cl-].N1CCC(=O)CC1.O.[H+]

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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

Hazards SummaryAn irritant; May induce methemoglobinemia; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

wgk: WGK 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Piperidone Monohydrate Hydrochloride is the hydrated form of 4-Piperidinone Hydrochloride. 4-Piperidinone Hydrochloride is a useful reagent for Fentanyl (F275000) synthesis. Fentanyl is an analgesic.