1,4,7-트리스[(4-메틸페닐)술포닐]-1,4,7-트리아조난

1H-1,4,7-Triazonine, octahydro-1,4,7-tris((4-methylphenyl)sulfonyl)-

HCID 564157
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기본 정보

CAS
52667-89-7
표준 SMILES
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIKey
BLZOXONTWBENEK-UHFFFAOYSA-N
분자식
C27H33N3O6S3
평균 분자량
591.8 g/mol
단동위원소 질량
591.1531493

이름 및 식별자

우선 이름
1H-1,4,7-Triazonine, octahydro-1,4,7-tris((4-methylphenyl)sulfonyl)-
IUPAC
1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
현지명
1,4,7-트리스[(4-메틸페닐)술포닐]-1,4,7-트리아조난
영어명
1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane
분자식
C27H33N3O6S3
분자량
591.76

이름 및 동의어

1H-1,4,7-Triazonine, octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-1H-1,4,7-Triazonine, octahydro-1,4,7-tris((4-methylphenyl)sulfonyl)-RefChem:437964610-880-31,4,7-Tritosyl-1,4,7-triazonane52667-89-71,4,7-Tris[(4-methylphenyl)sulfonyl]-1,4,7-triazonaneMFCD001840561,4,7-Tri(p-tolylsulfonyl)-1,4,7-triazacyclononane1,4,7-Tris-(toluene-4-sulfonyl)-[1,4,7]triazonane1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane1,4,7-tris(4-methylbenzenesulfonyl)-1,4,7-triazonane
이름 더 보기
1,4,7-트리스[(4-메틸페닐)술포닐]-1,4,7-트리아조난147-Triplebenzenesulfonyl-147-Sanwu147-Trip-toluene sulfonaki-149-Sanwu1,4,7-tris(phenylsulfonyl)-1,4,7-triazonane1,4,7-Tris(4-toluenesulfonyl)-1,4,7-triazacyclononane
1,4,7-tritosyl-1,4,7-triazacyclononane1,4,7-Tris(p-toluenesulfonyl)-1,4,7-triazacyclononaneC27H33N3O6S31,4,7-tri-p-Tosyl-1,4,7-triazacyclononaneOprea1_587292Oprea1_6664941,4,7-tris(p-tolylsulfonyl)-1,4,7-triazacyclononaneSCHEMBL3971438

데이터베이스 식별자

CAS
52667-89-7
PubChem CID
564157
DTXSID
DTXSID00340352
EC Number
610-880-3
Nikkaji
J678.901C

물성

구조 계산 물성

XLogP
3.6
극성 표면적
137 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
6
무거운 원자 수
39

물리화학적 성질

녹는점
222 · 222-224℃
끓는 점
749.4 · 749.4±70.0 °C(Predicted)
밀도
1.334 · 1.334±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
-7.08 · -7.08±0.20(Predicted)
InChIKey
BLZOXONTWBENEK-UHFFFAOYSA-N

안전 및 규제

유해성 정보

Regulatory InformationREACH registered substance: 1H-1,4,7-Triazonine, octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]- (EC: 610-880-3)

화학 및 산업

응용 분야

용도1,4,7-tris[(4-Methylphenyl)sulfonyl]-1,4,7-triazonane is mainly used in pharmaceutical synthesis and scientific research.

상·하류 제품 정보

공급사44 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

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CAS 52667-89-7 1H-1,4,7-Triazonine, octahydro-1,4,7-tris((4-methylphenyl)sulfonyl)- (HCID 564157)｜Huagongshe