기본 정보
- CAS
54079-53-7- 표준 SMILES
CCN(CCOc1ccc(C2CCCCC2)cc1)c1ccc(C=C(C#N)C#N)c(C)c1- InChIKey
NQAJBKZEQYYFGK-UHFFFAOYSA-N- 분자식
- C27H31N3O
- 평균 분자량
- 413.6 g/mol
- 단동위원소 질량
- 413.24671262
이름 및 식별자
- 우선 이름
- ((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
- IUPAC
- 2-[[4-[2-(4-cyclohexylphenoxy)ethyl-ethylamino]-2-methylphenyl]methylidene]propanedinitrile
- 현지명
- [[4-[[2-(4-사이클로헥실페녹시)에틸]에틸아미노]-2-메틸페닐]메틸렌]말로노니트릴
- 영어명
- [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile
- 분자식
- C27H31N3O
- 분자량
- 413.55
이름 및 동의어
[[4-[[2-(4-CYCLOHEXYLPHENOXY)ETHYL]ETHYLAMINO]-2-METHYLPHENYL]METHYLENE]MALONONITRILEPropanedinitrile, [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-DTXSID9068908((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrilePropanedinitrile, ((4-((2-(4-cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)-2-[[4-[[2-(4-Cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]propanedinitrilePropanedinitrile, 2-((4-((2-(4-cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)-Propanedinitrile, 2-[[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-2-((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)propanedinitrileRefChem:390116DTXCID3041586Propanedinitrile, 4-2-(4-cyclohexylphenoxy)ethylethylamino-2-methylphenylmethylene-
이름 더 보기
[[4-[[2-(4-사이클로헥실페녹시)에틸]에틸아미노]-2-메틸페닐]메틸렌]말로노니트릴N-2-((4-Cyclohexyl)phenoxy)ethyl-N-ethyl-4-(2,2-dicyanoethenyl)-3-methylaniline
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 60.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 651
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 611.8 · 611.8±55.0 °C(Predicted)
- 밀도
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 25℃
- 산도 계수 (pKa)
- 1.98 · 1.98±0.50(Predicted)
- 수용성
- 700 ng/L · 700ng/L at 20℃
- LogP
- 7.882 at · 7.882 at 25℃
- EPA
- 4 · Propanedinitrile, [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]- (54079-53-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (120 of 120) of all reports.
Not Classified
Aggregated GHS information provided per 120 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Propanedinitrile, [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-
Hazard Traits - Bioaccumulation; Environmental Persistence
REACH registered substance: [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]malononitrile (EC: 258-964-5)
Propanedinitrile, 4-2-(4-cyclohexylphenoxy)ethylethylamino-2-methylphenylmethylene-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Propanedinitrile, [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationPropanedinitrile, 2-[[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-: ACTIVE
공급사3 곳
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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