기본 정보
- CAS
871550-18-4- 표준 SMILES
OC(Cn1cncn1)(Cn1cncn1)c1ccc(-n2cncn2)cc1-n1cncn1- InChIKey
OJVXFFNXVZXQII-UHFFFAOYSA-N- 분자식
- C17H16N12O
- 평균 분자량
- 404.4 g/mol
- 단동위원소 질량
- 404.15700318
이름 및 식별자
- 우선 이름
- 2-[2,4-Bis(1,2,4-triazol-1-yl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
- IUPAC
- 2-[2,4-bis(1,2,4-triazol-1-yl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
- 영어명
- α-[2,4-Bis(1H-1,2,4-triazol-1-yl)phenyl]-α-(1H-1,2,4-triazol-1-ylMethyl)-1H-1,2,4-triazole-1-ethanol
- 분자식
- C17H16N12O
- 분자량
- 404.38874
이름 및 동의어
871550-18-42-[2,4-bis(1,2,4-triazol-1-yl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-olalpha-[2,4-Bis(1H-1,2,4-triazol-1-yl)phenyl]-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanola-[2,4-Bis(1H-1,2,4-triazol-1-yl)phenyl]-a-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanolSCHEMBL6376585WJB55018a-[2,4-Bis(1H-1,2,4-triazol-1-yl)phenyl]-a-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol; 2-[2,4-bis(1,2,4-triazol-1-yl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-olα-[2,4-Bis(1H-1,2,4-triazol-1-yl)phenyl]-α-(1H-1,2,4-triazol-1-ylMethyl)-1H-1,2,4-triazole-1-ethanolα-[2,4-Bis(1H-1,2,4-triazol-1-yl)phenyl]-α-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol1H-1,2,4-Triazole-1-ethanol, α-[2,4-bis(1H-1,2,4-triazol-1-yl)phenyl]-α-(1H-1,2,4-triazol-1-ylmethyl)-
데이터베이스 식별자
- CAS
871550-18-4- PubChem CID
- 11589495
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 551
물리화학적 성질
- 끓는 점
- 841.5 · 841.5±75.0 °C(Predicted)
- 밀도
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 용해도
- 아세토니트릴, 디메틸술폭시드, 메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.08 · 11.08±0.29(Predicted)
- 색상
- 하얀색
화학적 성질
White Solid
화학 및 산업
응용 분야
용도α-[2,4-Bis(1H-1,2,4-triazol-1-yl)phenyl]-α-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-1-ethanol is an impurity formed during purification of Fluconazole (F421000).
공급사5 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
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深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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