기본 정보
- CAS
352209-17-7- 표준 SMILES
Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NCCCCCCNc1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1- InChIKey
YXAGEZJLGSVYIU-UHFFFAOYSA-N- 분자식
- C28H24ClF7N6
- 평균 분자량
- 613 g/mol
- 단동위원소 질량
- 612.1639196
이름 및 식별자
- 우선 이름
- 6-chloro-2-N,2-N-diphenyl-4-N-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]hexyl]-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-chloro-2-N,2-N-diphenyl-4-N-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]hexyl]-1,3,5-triazine-2,4-diamine
- 영어명
- 6-chloro-N~2~,N~2~-diphenyl-N~4~-{6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]hexyl}-1,3,5-triazine-2,4-diamine
- 분자식
- C28H24ClF7N6
- 분자량
- 612.97
이름 및 동의어
352209-17-7ZINC84449816-chloro-2-N,2-N-diphenyl-4-N-[6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]hexyl]-1,3,5-triazine-2,4-diamineAG-219/34251008MFCD00756663STK040702ZINC08444981AKOS0036723146-Chloro-N2,N2-diphenyl-N4-(6-((2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)amino)hexyl)-1,3,5-triazine-2,4-diamineZINC000008444981Clc1nc(NCCCCCCNc2c(F)c(F)c(c(c2F)F)C(F)(F)F)nc(n1)N(c1ccccc1)c1ccccc16chloro2N2Ndiphenyl4N(6(2356tetrafluoro4(trifluoromethyl)anilino)hexyl)135triazine24diamine
이름 더 보기
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N2-diphenyl-N4-[6-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]amino]hexyl]-
6-chloro-N,N-diphenyl-N'-(6-{[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]amino}hexyl)-1,3,5-triazine-2,4-diamine6-chloro-N~2~,N~2~-diphenyl-N~4~-{6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]hexyl}-1,3,5-triazine-2,4-diamine6chloroNNdiphenylN(6((2356tetrafluoro4(trifluoromethyl)phenyl)amino)hexyl)135triazine24diamineC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC(=NC(=N3)NCCCCCCNC4=C(C(=C(C(=C4F)F)C(F)(F)F)F)F)Cl
물성
구조 계산 물성
- XLogP
- 9.2
- 극성 표면적
- 66 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 754
물리화학적 성질
- 끓는 점
- 672.3 · 672.3±65.0 °C(Predicted)
- 밀도
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.9 · 2.90±0.10(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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