HRID 1298904촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
기본 정보
- CAS
72897-07-5- 표준 SMILES
Cc1ccc(N2CN(c3ccc(C)cc3)CP(c3ccccc3)C2)cc1- InChIKey
UBTLQANULOJJIY-UHFFFAOYSA-N- 분자식
- C23H25N2P
- 평균 분자량
- 360.4 g/mol
- 단동위원소 질량
- 360.1755358
이름 및 식별자
- 우선 이름
- 1,3-Bis(4-methylphenyl)-5-phenyl-1,3,5-diazaphosphinane
- IUPAC
- 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5-diazaphosphinane
- 영어명
- 1,3-bis(4-methylphenyl)-5-phenyl-1,3,5-diazaphosphinane
- 분자식
- C23H25N2P
- 분자량
- 360.43
이름 및 동의어
1,3-bis(4-methylphenyl)-5-phenyl-1,3,5-diazaphosphinaneDTXSID3036545272897-07-5RefChem:218064DTXCID60316492ZINC2257006ZINC02257006Oprea1_7532285phenyl13diptolyl135diazaphosphinaneMFCD00377367NSC845000STK051652
이름 더 보기
Hexahydro-1,3-bis(4-methylphenyl)-5-phenyl-1,3,5-diazaphosphorine1,3,5-Diazaphosphorine, hexahydro-1,3-bis(4-methylphenyl)-5-phenyl-
AKOS005385839NSC-845000ZINC000002257006Cc1ccc(cc1)N1CN(CP(C1)c1ccccc1)c1ccc(cc1)C5-phenyl-1,3-di-p-tolyl-1,3,5-diazaphosphinane1,3-di-p-tolyl-5-phenyl-1,3,5-diazaphosphorinane13BIS(4METHYLPHENYL)5PHENYL135DIAZAPHOSPHINANE13DI(PTOLYL)5PHENYLHEXAHYDRO135DIAZAPHOSPHORINE
데이터베이스 식별자
- CAS
72897-07-5- PubChem CID
- 1884794
- DTXSID
DTXSID30365452- Nikkaji
- J778.634D
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 6.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 390
물리화학적 성질
- 녹는점
- 114 · 114-115 °C(Solv: acetonitrile (75-05-8))
- 끓는 점
- 555.2 · 555.2±50.0 °C(Predicted)
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 3.9 · 3.90±0.40(Predicted)
- 물리적 상태
- powder
- InChI
- 1S/C23H25N2P/c1-19-8-12-21(13-9-19)24-16-25(22-14-10-20(2)11-15-22)18-26(17-24)23-6-4-3-5-7-23/h3-15H,16-18H2,1-2H3
- InChIKey
- UBTLQANULOJJIY-UHFFFAOYSA-N
- SMILES
- P2(CN(CN(C2)c4ccc(cc4)C)c3ccc(cc3)C)c1ccccc1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
192건
HRID 1298905촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1298906촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1298907촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1298908촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1298909촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1298910촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1298911촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
화합물 노트
불러오는 중…