기본 정보
- CAS
63165-89-9- 표준 SMILES
CC(C)(C)C1=CC(=C2C(=C(C#N)C#N)C2=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O- InChIKey
ZLFMSZWJQSGGBH-UHFFFAOYSA-N- 분자식
- C34H40N2O2
- 평균 분자량
- 508.7 g/mol
- 단동위원소 질량
- 508.30897852
이름 및 식별자
- 우선 이름
- Propanedinitrile, 2-(2,3-bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-
- IUPAC
- 2-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]propanedinitrile
- 영어명
- [2,3-Bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]propanedinitrile
- 분자식
- C34H40N2O2
- 분자량
- 508.69
이름 및 동의어
(Bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)propanedinitrilePropanedinitrile, [bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-Propanedinitrile, (bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-Propanedinitrile, 2-(2,3-bis(3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene)cyclopropylidene)-Propanedinitrile, 2-[2,3-bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-RefChem:86890863165-89-9SCHEMBL2208889DTXSID5069752[2,3-Bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]propanedinitrileDB-215353[Bis(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]propanedinitrile
이름 더 보기
1,2-Bis(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadiene-1-ylidene)-3-dicyanomethylenecyclopropane
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 81.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,290
물리화학적 성질
- EPA
- 3 · Propanedinitrile, [bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]- (63165-89-9)
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 InformationPropanedinitrile, 2-[2,3-bis[3,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]cyclopropylidene]-: INACTIVE
관련 반응
1건
화합물 노트
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