인돌-3-카르복실산,1-메틸-,에틸에스테르

ethyl 1-methyl-1H-indole-2-carboxylate

HCID 143368CAS 18450-24-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1cc2ccccc2n1C
InChIKey: FRLLPWADCHCBBY-UHFFFAOYSA-N
분자식: C12H13NO2
평균 분자량: 203.24 g/mol
단동위원소 질량: 203.09462866

이름 및 식별자

우선 이름: ethyl 1-methyl-1H-indole-2-carboxylate
IUPAC: ethyl 1-methylindole-2-carboxylate
현지명: 1-메틸린돌-2-카르복실산에틸에스테르
영어명: 2-(Ethoxycarbonyl)-N-Methylindole
분자식: C12H13NO2
분자량: 203.24

이름 및 동의어

18450-24-3ethyl 1-methyl-1H-indole-2-carboxylateethyl 1-methylindole-2-carboxylateETHYL 1-METHYL-INDOLE-2-CARBOXYLATE1-methylindole-2-carboxylic acid ethyl ester56559-60-52-(ETHOXYCARBONYL)-N-METHYLINDOLEMFCD01926673Indole-3-carboxylic acid, 1-methyl-, ethyl ester2-(Ethoxycarbonyl)-N-methylindole; Ethyl 1-methyl-1H-indole-2-carboxylate1H-Indole-2-carboxylic acid, 1-methyl-, ethyl esterNSC134575

이름 더 보기

1-메틸린돌-2-카르복실산에틸에스테르RARECHEM AL BI 08641-methyl-2-indolecarboxylic acid ethyl ester1-Methyl-1H-indole-2-carboxylic acid ethyl ester

ChemDiv3_015773SCHEMBL1092502SCHEMBL4493997SCHEMBL7304030DTXSID40205113HMS1517M21TAA45024SBB093141

데이터베이스 식별자

CAS: 18450-24-3、56559-60-5
PubChem CID: 143368
DTXSID: DTXSID40205113
Nikkaji: J350.895A

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 31.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 242

물리화학적 성질

녹는점: 59 · 59-60 °C
끓는 점: 333.5 · 333.5±15.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)

화학 및 산업

응용 분야

용도2-(Ethoxycarbonyl)-N-methylindole has been used as a reactant for the preparation of indole based small molecules as anticancer agents through SIRT1 inhibition.