2-tert-butyl-6-[[[(1S,2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylamino]-1,2-diphenylethyl]amino]methyl]phenol

HCID 87305161
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기본 정보

CAS
481725-63-7
표준 SMILES
CC(C)(C)c1cccc(CN[C@@H](c2ccccc2)[C@@H](NCc2cccc(C(C)(C)C)c2O)c2ccccc2)c1O
InChIKey
ODFGPPJNWKDOSP-ACHIHNKUSA-N
분자식
C36H44N2O2
평균 분자량
536.7 g/mol
단동위원소 질량
536.34027865

이름 및 식별자

우선 이름
2-tert-butyl-6-[[[(1S,2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylamino]-1,2-diphenylethyl]amino]methyl]phenol
IUPAC
2-tert-butyl-6-[[[(1S,2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylamino]-1,2-diphenylethyl]amino]methyl]phenol
영어명
2,2'-[[(1S,2S)-1,2-Diphenyl-1,2-ethanediyl]bis(iminomethylene)]bis[6-(1,1-dimethylethyl)phenol]
분자식
C36H44N2O2
분자량
536.75

이름 및 동의어

481725-63-7SCHEMBL1873880ODFGPPJNWKDOSP-ACHIHNKUSA-NDTXSID9013868146,6'-((((1S,2S)-1,2-Diphenylethane-1,2-diyl)bis(azanediyl))bis(methylene))bis(2-(tert-butyl)phenol)2,2'-[[(1s,2s)-1,2-diphenyl-1,2-ethanediyl]bis(iminomethylene)]bis[6-(1,1-dimethylethyl)-phenol]2,2a(2)-[[(1S,2S)-1,2-Diphenyl-1,2-ethanediyl]bis(iminomethylene)]bis[6-(1,1-dimethylethyl)phenol]tube15972,2'-[[(1S,2S)-1,2-Diphenyl-1,2-diyl]bis(iminomethyl)]bis[6-(1,1-ditert-butyl)phenol]2,2'-[[(1S,2S)-1,2-Diphenyl-1,2-ethanediyl]bis(iminomethylene)]bis[6-(1,1-dimethylethyl)phenol]2,2'-{[(1S,2S)-1,2-Diphenyl-1,2-ethanediyl]bis(iminomethylene)}bis[6- (1,1-dimethylethyl)phenol]Phenol, 2,2'-[[(1S,2S)-1,2-diphenyl-1,2-ethanediyl]bis(iminomethylene)]bis[6-(1,1-dimethylethyl)-
이름 더 보기
2,2'-{[(1S,2S)-1,2-Diphenyl-1,2-ethanediyl]bis(iminomethylene)}bis[6-(2-methyl-2-propanyl)phenol]6,6'-((((1S,2S)-1,2-diphenylethane-1,2-diyl)bis(azanediyl)) bis(methylene))bis(2-(tert-butyl)phenol)

데이터베이스 식별자

CAS
481725-63-7
PubChem CID
87305161
DTXSID
DTXSID901386814

물성

구조 계산 물성

XLogP
9.1
극성 표면적
64.5 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
4
회전 가능 결합 수
11
무거운 원자 수
40

물리화학적 성질

끓는 점
637 ℃ · 637℃
밀도
1.102 · 1.102
인화점
5 ℃ · 5℃
산도 계수 (pKa)
11.27 · 11.27±0.35(Predicted)
InChIKey
ODFGPPJNWKDOSP-ACHIHNKUSA-N
SMILES
[C@H](NCC1=CC=CC(C(C)(C)C)=C1O)(C1=CC=CC=C1)[C@@H](NCC1=CC=CC(C(C)(C)C)=C1O)C1=CC=CC=C1

화학 및 산업

공급사13 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
绍兴赜军生物医药科技有限公司0575-82126188 15395856318
陕西瑞科新材料股份有限公司0917-8888777 18691786767
吉林中科研伸科技有限公司18143011203 · [email protected]
绍兴赜军生物医药科技有限公司0575-82126188 15395856318 · [email protected]

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