기본 정보
- CAS
69898-60-8- 표준 SMILES
CCOc1cc(N(CC)CC)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2ccc(C(=O)O)cc21- InChIKey
RVORTOANALJZCZ-UHFFFAOYSA-N- 분자식
- C32H34N2O5
- 평균 분자량
- 526.6 g/mol
- 단동위원소 질량
- 526.24677219
이름 및 식별자
- 우선 이름
- 5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-ethoxyphenyl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-
- IUPAC
- 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methylindol-3-yl)-1-oxo-2-benzofuran-5-carboxylic acid
- 영어명
- 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylic acid
- 분자식
- C32H34N2O5
- 분자량
- 526.62
이름 및 동의어
EINECS 274-201-95-Isobenzofurancarboxylic acid, 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-DTXSID508875203-(2-Ethoxy-4-(diethylamino)phenyl)-3-(1-ethyl-2-methylindol-3-yl)-1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid5-Isobenzofurancarboxylic acid, 3-(4-(diethylamino)-2-ethoxyphenyl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-RefChem:536442DTXCID40102681169898-60-83-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1h-indol-3-yl)-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acidRVORTOANALJZCZ-UHFFFAOYSA-NNS000618873-(4-(Diethylamino)-2-ethoxyphenyl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylic acid
이름 더 보기
3-[4-(Diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-5-isobenzofurancarboxylic acid3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylic acid
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 81 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 879
물리화학적 성질
- 끓는 점
- 733.5 · 733.5±60.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.63 · 3.63±0.40(Predicted)
- EPA
- 5 · 5-Isobenzofurancarboxylic acid, 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo- (69898-60-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information5-Isobenzofurancarboxylic acid, 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxo-: INACTIVE
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