4-(프탈리미도)-사이클로헥사논

2-(4-oxocyclohexyl)-2,3-dihydro-1H-isoindole-1,3-dione

HCID 11998391

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 104618-32-8
표준 SMILES: O=C1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIKey: PWUJQPNLEZZILN-UHFFFAOYSA-N
분자식: C14H13NO3
평균 분자량: 243.26 g/mol
단동위원소 질량: 243.08954328

이름 및 식별자

우선 이름: 2-(4-oxocyclohexyl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 2-(4-oxocyclohexyl)isoindole-1,3-dione
현지명: 4-(프탈리미도)-사이클로헥사논
영어명: N-(4-Oxocyclohexyl)phthalimide
분자식: C14H13NO3
분자량: 243.26

이름 및 동의어

2-(4-oxocyclohexyl)-2,3-dihydro-1H-isoindole-1,3-dione2-(4-oxocyclohexyl)-1H-isoindole-1,3(2H)-dioneRefChem:458278980-672-8104618-32-82-(4-oxocyclohexyl)isoindoline-1,3-dione4-Phthalimidocyclohexanone4-(Phthalimido)-cyclohexanoneN-(4-Oxocyclohexyl)phthalimideN-(4-Oxocyclohexyl) PhthalimideMFCD001586592-(4-oxocyclohexyl)isoindole-1,3-dione

이름 더 보기

4-(프탈리미도)-사이클로헥사논4-Phthalamido Cyclohexanone4-(phthaliMide)-cyclohexanoneN-(4-Oxocyclohexyl)phthalimide>N-(4-Oxocyclohexyl)phthalimide4-Phthalimidocyclohexanone yclohexanone2-(4-Oxocyclohexyl)-1H-isoindol-1,3(2H)-dione

2-(4-OXO-CYCLOHEXYL)-ISOINDOLE-1,3-DIONE4-phthalimido-cyclohexanone1H-Isoindole-1,3(2H)-dione, 2-(4-oxocyclohexyl)-4-phthalimido cyclohexanoneSCHEMBL633891DTXSID10475523AKOS000369805AC-3543

데이터베이스 식별자

CAS: 104618-32-8
PubChem CID: 11998391
DTXSID: DTXSID10475523
EC Number: 980-672-8
Nikkaji: J3.151.957H

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 370

물리화학적 성질

녹는점: 142 to · 142.0 to 146.0 °C
끓는 점: 410 · 410.0±38.0 °C(Predicted)
밀도: 1.357 · 1.357
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -2.27 · -2.27±0.20(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C14H13NO3/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(11)14(15)18/h1-4,9H,5-8H2
InChIKey: PWUJQPNLEZZILN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1C1CCC(=O)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.