기본 정보
- CAS
956907-34-9- 표준 SMILES
CC1(C)OB(c2cnn(CCOC3CCCCO3)c2)OC1(C)C- InChIKey
YWRBLSYOLXMZGA-UHFFFAOYSA-N- 분자식
- C16H27BN2O4
- 평균 분자량
- 322.2 g/mol
- 단동위원소 질량
- 322.20638774
이름 및 식별자
- 우선 이름
- 1-[2-(oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- IUPAC
- 1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- 영어명
- 1-{2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl}-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- 분자식
- C16H27BN2O4
- 분자량
- 322.21
이름 및 동의어
956907-34-91-[2-(oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleMFCD16294418(1-(2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)ETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole1-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole1-[2-(tetrahydropyran-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole1-[2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-{2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl}-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleSCHEMBL253078
이름 더 보기
1-{2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl1-[2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl]pyrazole-4-boronic Acid Pinacol Ester1-{2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl}-1H-pyrazole-4-boronic acid, pinacol ester1-[2-(oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole - [X26913]1-[2-(Tetrahydropyran-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyraztetrahydro-2H-pyran-2-yl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl ether
DTXSID20731586YWRBLSYOLXMZGA-UHFFFAOYSA-NAKOS025293810SB12215AS-52527SY110875DB-328362CS-0052679
데이터베이스 식별자
- CAS
956907-34-9- PubChem CID
- 59341819
- DTXSID
DTXSID20731586
물성
구조 계산 물성
- 극성 표면적
- 54.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 392
물리화학적 성질
- 끓는 점
- 455.1 · 455.1±45.0 °C(Predicted)
- 밀도
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- 저장 조건
- 0 · Store at 0-8 °C
- 산도 계수 (pKa)
- 1.82 · 1.82±0.10(Predicted)
안전 및 규제
안전 데이터
- HS 번호
- 2933199090
화학 및 산업
상·하류 제품 정보
상류 원료
공급사29 곳
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