N-シクロヘキシル-3-オキソブタンアミド

N-Cyclohexylacetoacetamide

HCID 70805CAS 1132-42-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)CC(=O)NC1CCCCC1
InChIKey: FLCPERRDPXWFDK-UHFFFAOYSA-N
分子式: C10H17NO2
平均分子量: 183.25 g/mol
単同位体質量: 183.12592879

名称と識別子

優先名称: N-Cyclohexylacetoacetamide
IUPAC: N-cyclohexyl-3-oxobutanamide
現地名: N-シクロヘキシル-3-オキソブタンアミド
英語名: N-cyclohexylacetoacetamide
分子式: C10H17NO2
分子量: 183.25

名称と別名

N-Cyclohexylacetoacetamiden-cyclohexyl-3-oxobutanamide1132-42-9Butanamide, N-cyclohexyl-3-oxo-V4R6MJY84BEINECS 214-475-9NSC-60220DTXSID60150318NSC 60220RefChem:163155DTXCID0072809214-475-9

名称をさらに表示

N-シクロヘキシル-3-オキソブチルアミドN-シクロヘキシル-3-オキソブタンアミドN-シクロヘキシルアセトアセトアミドN-Cyclohexyl-3-oxobutyramide

Butanamide,N-cyclohexyl-3-oxo-acetoacetic cyclohexylamideNSC60220UNII-V4R6MJY84BN-cyclohexyl-acetylacetamideN-cyclohexyl-3-oxo-butanamideSCHEMBL2413616AKOS000165977

データベース識別子

CAS: 1132-42-9
PubChem CID: 70805
DTXSID: DTXSID60150318
UNII: V4R6MJY84B
EC Number: 214-475-9
Nikkaji: J203.379H

物性

構造計算による物性

XLogP: 1.8
極性表面積: 46.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 195

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.