기본 정보
- CAS
61294-45-9- 표준 SMILES
CCOC(=O)c1c2ccc(Cl)cc2c(-c2ccccc2)n1CCN(CC)CC.Cl- InChIKey
JARRFJLRNFBULQ-UHFFFAOYSA-N- 분자식
- C23H28Cl2N2O2
- 평균 분자량
- 435.4 g/mol
- 단동위원소 질량
- 434.1527835
이름 및 식별자
- 우선 이름
- 2H-Isoindole-1-carboxylic acid, 5-chloro-2-(2-(diethylamino)ethyl)-3-phenyl-, ethyl ester, monohydrochloride
- IUPAC
- ethyl 5-chloro-2-[2-(diethylamino)ethyl]-3-phenylisoindole-1-carboxylate;hydrochloride
이름 및 동의어
2H-Isoindole-1-carboxylic acid, 5-chloro-2-(2-(diethylamino)ethyl)-3-phenyl-, ethyl ester, monohydrochloride5-Chloro-2-(2-(diethylamino)ethyl)-3-phenylisoindole-1-carboxylic acid ethyl ester HCl61294-45-9DTXSID60210183RefChem:268741DTXCID60132674SCHEMBL11609516JARRFJLRNFBULQ-UHFFFAOYSA-N5-chloro-2-[ 2-(diethylamino)ethyl]-3-phenylisoindole-1-carboxylic acid ethyl ester hydrochloride5-chloro-2-[2-(diethylamino)-ethyl]-3-phenylisoindole-1-carboxylic acid ethyl ester hydrochloride5-chloro-2-[2-(diethylamino)ethyl]-3-phenylisoindole-1-carboxylic acid ethyl ester hydrochlorideEthyl 5-chloro-2-[2-(diethylamino)ethyl]-3-phenyl-2H-isoindole-1-carboxylate--hydrogen chloride (1/1)
데이터베이스 식별자
- CAS
61294-45-9- PubChem CID
- 3045893
- DTXSID
DTXSID60210183
물성
구조 계산 물성
- 극성 표면적
- 34.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 493
관련 반응
20건
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