1-アセチルピペリジン

1-Acetylpiperidine

HCID 12058

基本情報

CAS: 618-42-8
標準SMILES: CC(=O)N1CCCCC1
InChIKey: KDISMIMTGUMORD-UHFFFAOYSA-N
分子式: C7H13NO
平均分子量: 127.18 g/mol
単同位体質量: 127.09971404

概要

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.

名称と識別子

優先名称: 1-Acetylpiperidine
IUPAC: 1-piperidin-1-ylethanone
現地名: 1-アセチルピペリジン
英語名: 1-Acetylpiperidine
分子式: C7H13NO
分子量: 127.18

名称と別名

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

名称をさらに表示

1-アセチルピペリジンN-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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.6
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 105

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

融点: -13.4 °C · -13.4°C
沸点: 226 °C · 226 °C
比重(密度): 0 · 0,003 g/cm3
屈折率: 1.479 · 1.4790-1.4820
闪点: 97 °C · 97°C
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): -0.41 · -0.41±0.20(Predicted)
色: Colorless to Light orange to Yellow
CAS データベース: 618 · 618-42-8(CAS DataBase Reference)
EPAの化学物質情報: 1 · Piperidine, 1-acetyl- (618-42-8)

安全と法規制

GHS分類

GHS Classification · 5 件

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.