기본 정보
- CAS
63217-24-3- 표준 SMILES
CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(Oc3ccc(C(=O)OC)cc3)C(=O)C(C)(C)C)c2)c(C(C)(C)CC)c1- InChIKey
VXCZXLZDXHEWHD-UHFFFAOYSA-N- 분자식
- C41H53ClN2O7
- 평균 분자량
- 721.3 g/mol
- 단동위원소 질량
- 720.3541297
이름 및 식별자
- 우선 이름
- Benzoic acid, 4-[1-[[[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-, methyl ester
- IUPAC
- methyl 4-[1-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoate
- 영어명
- methyl 4-[1-[[[5-[[4-[2,4-bis(tert-pentyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoate
- 분자식
- C41H53ClN2O7
- 분자량
- 721.32
이름 및 동의어
EINECS 264-020-3Benzoic acid, 4-[1-[[[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-, methyl esterDTXSID80886561Benzoic acid, 4-(1-(((2-chloro-5-((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)phenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)-, methyl esterBenzoic acid, 4-(1-(((5-((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)-, methyl esterRefChem:565872DTXCID00102588563217-24-3VXCZXLZDXHEWHD-UHFFFAOYSA-NSTK396364AKOS005433592DB-326607
이름 더 보기
methyl 4-[1-[[[5-[[4-[2,4-bis(tert-pentyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoate4-[1-[[[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid methyl ester
NS00056292ST50217120AG-690/09706024Methyl 4-(1-(((5-((4-(2,4-bis(tert-pentyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)amino)carbonyl)-3,3-dimethyl-2-oxobutoxy)benzoatemethyl 4-[(1-{[5-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl}amino)-2-chlorophenyl]amino}-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy]benzoateMETHYL 4-[1-[[[5-[[4-[2,4-BIS(TERT-PENTYL)PHENOXY]-1-OXOBUTYL ]AMINO]-2-CHLOROPHENYL ]AMINO]CARBONYL ]-3,3-DIMETHYL-2-OXOBUTOXY]BENZOATEMethyl 4-{[1-(5-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}-2-chloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxy}benzoatemethyl 4-{1-[(2-chloro-5-{[4-(2,4-ditert-pentylphenoxy)butanoyl]amino}anilino)carbonyl]-3,3-dimethyl-2-oxobutoxy}benzoate
데이터베이스 식별자
- CAS
63217-24-3- PubChem CID
- 112633
- DTXSID
DTXSID80886561- EC Number
- 264-020-3
- Nikkaji
- J327.032G
물성
구조 계산 물성
- XLogP
- 10.7
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,160
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- EPA
- 4 · Benzoic acid, 4-[1-[[[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-, methyl ester (63217-24-3)
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 InformationBenzoic acid, 4-[1-[[[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-, methyl ester: INACTIVE
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