1-아세틸피페리딘

1-Acetylpiperidine

HCID 12058CAS 618-42-8

기본 정보

표준 SMILES: CC(=O)N1CCCCC1
InChIKey: KDISMIMTGUMORD-UHFFFAOYSA-N
분자식: C7H13NO
평균 분자량: 127.18 g/mol
단동위원소 질량: 127.09971404

개요

1-acetylpiperidine is an N-acylpiperidine that is piperidine in which the hydrogen attached to the nitrogen is replaced by an acetyl group. It is a monocarboxylic acid amide and a N-acylpiperidine.

이름 및 식별자

우선 이름: 1-Acetylpiperidine
IUPAC: 1-piperidin-1-ylethanone
현지명: 1-아세틸피페리딘
영어명: 1-Acetylpiperidine
분자식: C7H13NO
분자량: 127.18

이름 및 동의어

1-ACETYLPIPERIDINE618-42-8Piperidine, 1-acetyl-1-(piperidin-1-yl)ethan-1-oneEthanone, 1-(1-piperidinyl)-NSC 2391-(1-piperidinyl)ethanoneEINECS 210-550-5BRN 0109570AI3-11533DTXSID7060679CHEBI:36591

이름 더 보기

1-아세틸피페리딘메틸 1-피페리딜 케톤N-ACETYL PIPERIDINE1-acetyl-piperidin1-piperidinoethanonePiperidine,1-acetyl-1-Acetylpiperidine>Acetic acid, piperididemethyl1-piperidylketone

5-20-02-00440 (Beilstein Handbook Reference)RefChem:74827DTXCID5043130InChI=1/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1HKDISMIMTGUMORD-UHFFFAOYSA-N1-(Piperidin-1-yl)ethanoneN-AcetylpiperidineN-Acetylpiperidin

데이터베이스 식별자

CAS: 618-42-8
PubChem CID: 12058
DTXSID: DTXSID7060679
ChEMBL: CHEMBL12196
ChEBI: CHEBI:36591
UNII: 6YC8YEW5QR
EC Number: 210-550-5
Nikkaji: J53.859K

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 105

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: -13.4 °C · -13.4°C
끓는 점: 226 °C · 226 °C
밀도: 0 · 0,003 g/cm3
굴절률: 1.479 · 1.4790-1.4820
인화점: 97 °C · 97°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): -0.41 · -0.41±0.20(Predicted)
색상: Colorless to Light orange to Yellow
EPA: 1 · Piperidine, 1-acetyl- (618-42-8)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 48% (36 of 75) of reports.

Warning

H315 (52%): 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)

Aggregated GHS information provided per 75 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.