기본 정보
- CAS
190437-60-6- 표준 SMILES
O=C(Nc1ccc(Cl)cc1)OCCN(CCNc1ncc(C(F)(F)F)cc1Cl)c1ncc(C(F)(F)F)cc1Cl- InChIKey
TYBKUXDFNVKAMS-UHFFFAOYSA-N- 분자식
- C23H18Cl3F6N5O2
- 평균 분자량
- 616.8 g/mol
- 단동위원소 질량
- 615.043027
이름 및 식별자
- 우선 이름
- 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)amino]ethyl N-(4-chlorophenyl)carbamate
- IUPAC
- 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethyl N-(4-chlorophenyl)carbamate
- 영어명
- 2-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)AMINO]ETHYL N-(4-CHLOROPHENYL)CARBAMATE
- 분자식
- C23H18Cl3F6N5O2
- 분자량
- 616.77
이름 및 동의어
190437-60-62-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)amino]ethyl N-(4-chlorophenyl)carbamate2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino}ethyl N-(4-chlorophenyl)carbamate2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]amino]ethyl N-(4-chlorophenyl)carbamateTYBKUXDFNVKAMS-UHFFFAOYSA-NAKOS0050850872H-9052-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino}ethylN-(4-chlorophenyl)carbamate2-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)AMINO]ETHYL N-(4-CHLOROPHENYL)CARBAMATECarbamic acid, (4-chlorophenyl)-, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl][2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethyl ester (9CI)
데이터베이스 식별자
- CAS
190437-60-6- PubChem CID
- 5122529
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 79.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 776
물리화학적 성질
- 끓는 점
- 600.3 · 600.3±55.0 °C(Predicted)
- 밀도
- 1.551 · 1.551±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.62 · 12.62±0.70(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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