기본 정보
- CAS
577960-29-3- 표준 SMILES
CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1- InChIKey
VTKABFDTNQRXDU-UHFFFAOYSA-N- 분자식
- C22H30N6O2
- 평균 분자량
- 410.5 g/mol
- 단동위원소 질량
- 410.24302422
이름 및 식별자
- 우선 이름
- 1,3-Dimethyl-8-(4-methyl-piperazin-1-ylmethyl)-7-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione
- IUPAC
- 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione
- 영어명
- 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dione
- 분자식
- C22H30N6O2
- 분자량
- 410.51
이름 및 동의어
577960-29-3SMR0000144441,3-Dimethyl-8-(4-methyl-piperazin-1-ylmethyl)-7-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione1,3-dimethyl-8-((4-methylpiperazin-1-yl)methyl)-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dioneMLS000076088MLS001385167CHEMBL1530811HMS2361L13STL006729AKOS000721713CCG-131976
이름 더 보기
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-[(4-methyl-1-piperazinyl)methyl]-7-(3-phenylpropyl)-
1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-phenylpropyl)purine-2,6-dioneST50283490AB00424195-08F0634-07311,3-dimethyl-8-((4-methylpiperazin-1-yl)methyl)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione1,3-DIMETHYL-8-[(4-METHYL-1-PIPERAZINYL)METHYL]-7-(3-PHENYLPROPYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE1,3-dimethyl-8-[(4-methylpiperazinyl)methyl]-7-(3-phenylpropyl)-1,3,7-trihydro purine-2,6-dione
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 64.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 617
물리화학적 성질
- 끓는 점
- 607.1 · 607.1±65.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.49 · 7.49±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
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