6-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-헥산산

1,3-Dihydro-1,3-dioxo-2H-isoindole-2-hexanoic acid

HCID 78185CAS 4443-26-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)CCCCCN1C(=O)c2ccccc2C1=O
InChIKey: QJDSLDWVMCWWCO-UHFFFAOYSA-N
분자식: C14H15NO4
평균 분자량: 261.27 g/mol
단동위원소 질량: 261.10010796

이름 및 식별자

우선 이름: 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-hexanoic acid
IUPAC: 6-(1,3-dioxoisoindol-2-yl)hexanoic acid
현지명: 6-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-헥산산
영어명: 6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid
분자식: C14H15NO4
분자량: 261.27

이름 및 동의어

6-(1,3-dioxoisoindol-2-yl)hexanoic acid2H-Isoindole-2-hexanoic acid, 1,3-dihydro-1,3-dioxo-Phthalimidocapronic acid6-phthalimidohexanoic acid1,3-Dihydro-1,3-dioxo-2H-isoindole-2-hexanoic acid940CG562FXDTXSID40196173.OMEGA.-PHTHALIMIDOCAPROIC ACID.EPSILON.-PHTHALIMIDOCAPROIC ACID6-(1,3-DIOXO-1,3-DIHYDROISOINDOL-2-YL)HEXANOIC ACIDRefChem:72672DTXCID50118664

이름 더 보기

6-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-헥산산AURORA 700AKOS B006508AKOS AU36-M183AKOS BBS-00007598ART-CHEM-BB B006508OTAVA-BB BB0123400435O-Phthalimide-C5-acid6-PHTHALIMIDO HEXANOIC ACID6-Phthalimidylhexanoic acid

OMEGA-PHTHALIMIDOCAPROIC ACIDEPSILON-PHTHALIMIDOCAPROIC ACID4443-26-96-(1,3-dioxoisoindolin-2-yl)hexanoic acidn-(5-carboxypentyl)phthalimideMFCD002334996-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid

데이터베이스 식별자

CAS: 4443-26-9
PubChem CID: 78185
DTXSID: DTXSID40196173
ChEMBL: CHEMBL79256
UNII: 940CG562FX
EC Number: 224-675-8
Nikkaji: J205.829D

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 74.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 19
형식 전하: 0
복잡도: 356

물리화학적 성질

녹는점: 107 °C · 107 °C(Solv: water (7732-18-5))
끓는 점: 239 · 239-240 °C(Press: 3 Torr)
밀도: 1.301 · 1.301±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.75 · 4.75±0.10(Predicted)
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 05-07-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6137

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

안전 데이터

HS 번호: 2925199590
hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도6-(1,3-Dioxoisoindolin-2-yl)hexanoic Acid is used in the synthesis and characterization of antioxidant-functionalized multi-walled carbon nanotubes. It was also used in the synthesis of N-substituted isoindolinedione derivatives which displayed good anticovulsant activity when compared to sodium valproate.