2,3-디하이드로-2,3-디옥소-1h-인돌-1-아세트산에틸에스테르

Ethyl isatin-N-acetate

HCID 38750

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 41042-21-1
표준 SMILES: CCOC(=O)CN1C(=O)C(=O)c2ccccc21
InChIKey: PTKZJSSZZSMJPS-UHFFFAOYSA-N
분자식: C12H11NO4
평균 분자량: 233.22 g/mol
단동위원소 질량: 233.06880783

이름 및 식별자

우선 이름: Ethyl isatin-N-acetate
IUPAC: ethyl 2-(2,3-dioxoindol-1-yl)acetate
현지명: 2,3-디하이드로-2,3-디옥소-1h-인돌-1-아세트산에틸에스테르
영어명: 2,3-dihydro-2,3-dioxo-1h-indole-1-aceticaciethylester
분자식: C12H11NO4
분자량: 233.22

이름 및 동의어

Ethyl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetateethyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetateEthyl isatin-N-acetateG0OM3JC2PFNSC 1360161-Indolineacetic acid, 2,3-dioxo-, ethyl esterBRN 02185672,3-Dioxo-1-indolineacetic acid ethyl ester1H-Indole-1-acetic acid, 2,3-dihydro-2,3-dioxo-, ethyl esterNSC-136016DTXSID20194016INDOLINE-1-ACETIC ACID, 2,3-DIOXO-, ETHYL ESTER

이름 더 보기

2,3-디하이드로-2,3-디옥소-1h-인돌-1-아세트산에틸에스테르ethyl2-(2,3-dioxoindolin-1-yl)acetate2,3-dioxo-1-indolineaceticaciethylester2,3-dioxo-indoline-1-aceticaciethylester2,3-Dioxoindoline-1-acetic acid ethyl esterEthyl 2,3-dihydro-2,3-dioxo-1H-indole-1-acetate2,3-dihydro-2,3-dioxo-1h-indole-1-aceticaciethylester1H-Indole-1-aceticacid, 2,3-dihydro-2,3-dioxo-, ethyl ester

1H-Indole-1-acetic acid, 2,3-dihydro-2,3-dioxo-, ethyl ester (9CI)2,3-DIOXO-1H-INDOLE-1-ACETIC ACID ETHYL ESTERRefChem:596227DTXCID30116507958-534-341042-21-1ethyl 2-(2,3-dioxoindolin-1-yl)acetateethyl 2-(2,3-dioxoindol-1-yl)acetate

데이터베이스 식별자

CAS: 41042-21-1
PubChem CID: 38750
DTXSID: DTXSID20194016
UNII: G0OM3JC2PF
EC Number: 958-534-3
Nikkaji: J68.726J

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 63.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 352

물리화학적 성질

녹는점: 116 · 116-118 °C
끓는 점: 381.7 · 381.7±44.0 °C(Predicted)
밀도: 1.32 · 1.320±0.06 g/cm3(Predicted)
산도 계수 (pKa): -2.79 · -2.79±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.