N-(4-옥소시클로헥실)아세트아미드

N-(4-Oxocyclohexyl)acetamide

HCID 538565CAS 27514-08-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)NC1CCC(=O)CC1
InChIKey: WZEMYWNHKFIVKE-UHFFFAOYSA-N
분자식: C8H13NO2
평균 분자량: 155.19 g/mol
단동위원소 질량: 155.09462866

이름 및 식별자

우선 이름: N-(4-Oxocyclohexyl)acetamide
IUPAC: N-(4-oxocyclohexyl)acetamide
현지명: N-(4-옥소시클로헥실)아세트아미드
영어명: N-(4-Oxocyclohexyl)acetamide
분자식: C8H13NO2
분자량: 155.19

이름 및 동의어

N-(4-Oxocyclohexyl)acetamide4-AcetamidocyclohexanoneEC 608-106-4DTXSID40337089RefChem:827879DTXCID30288177608-106-427514-08-54-acetamido-cyclohexanone4-n-acetyl-amino-cyclohexanoneAcetamide, N-(4-oxocyclohexyl)-N-(4-oxocyclohexyl) acetamide

이름 더 보기

N-(4-옥소시클로헥실)아세트아미드Carprofen Impurity 13Pramipexole Impurity 78p-Acetamidocyclohexanone4-ACETAMINO CYCLOHEXANONE4-acetamide cyclohexanone4-Acetamidocyclohexanone 97%N-4-acetylaminocyclohexanone4-N-Acetyl-aMinocyclohexanoe

MFCD037034624-acetamido cyclohexanone4-Acetamidocyclohexanone, 97%AKOS0013726624-(Acetylamino)cyclohexanoneEN300-272824-n-acetylamino cyclohexanone4-(Acetylamino)cyclohexanone; 4-Acetamidocyclohexanone

데이터베이스 식별자

CAS: 27514-08-5
PubChem CID: 538565
DTXSID: DTXSID40337089
EC Number: 608-106-4
Nikkaji: J604.863C

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 46.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 167

물리화학적 성질

녹는점: 137 °C · 137 °C
끓는 점: 359.1 · 359.1±31.0 °C(Predicted)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 15.76 · 15.76±0.20(Predicted)
물리적 상태: 고체
색상: 회백색
InChI: InChI=1S/C8H13NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7H,2-5H2,1H3,(H,9,10)
InChIKey: WZEMYWNHKFIVKE-UHFFFAOYSA-N
SMILES: C(NC1CCC(=O)CC1)(=O)C

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (97.9%): 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 47 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 20-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19331

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29242990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도N-(4-Oxocyclohexyl)acetamide is a metabolite of (trans-N-(4-nitroxycyclohexyl)acetamide (CAS 137213-91-3). N-(4-Oxocyclohexyl)acetamide has been used as a reactant in the preparation of 2-Pyrimidinecarbonitrile derivatives as falcipain inhibitors and antiparasitic agents.