기본 정보
- 표준 SMILES
Cn1c(=O)c2c(ncn2CCCNCc2ccccc2)n(C)c1=O- InChIKey
OVKWXBYMGXFCRZ-UHFFFAOYSA-N- 분자식
- C17H21N5O2
- 평균 분자량
- 327.4 g/mol
- 단동위원소 질량
- 327.16952491
이름 및 식별자
- 우선 이름
- 7-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
- IUPAC
- 7-[3-(benzylamino)propyl]-1,3-dimethylpurine-2,6-dione
- 영어명
- 7-[3-(benzylamino)propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
- 분자식
- C17H21N5O2
- 분자량
- 327.38
이름 및 동의어
24890-70-8EINECS 246-518-27-(3-(Benzylamino)propyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dioneDTXSID601795893,7-Dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-1H-purine-2,6-dione7-[3-(BENZYLAMINO)PROPYL]-3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE3,7-Dihydro-1,3-dimethyl-7-(3-((phenylmethyl)amino)propyl)-1H-purine-2,6-dioneRefChem:545067DTXCID70102080246-518-27-[3-(benzylamino)propyl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dioneG8V7CR9J8T
이름 더 보기
7-(N-Benzyl-3-aminopropyl))theophylline7-[3-(benzylamino)propyl]-1,3-dimethylpurine-2,6-dione
SCHEMBL105016277-(3-benzylaminopropyl)-theophylline7-[3-(Benzylamino)propyl]theophylline7-(N-Benzyl-3-aminopropyl)theophyllineNS000496221H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[3-[(phenylmethyl)amino]propyl]-
데이터베이스 식별자
- CAS
24890-70-8- PubChem CID
- 90641
- DTXSID
DTXSID60179589- UNII
- G8V7CR9J8T
- EC Number
- 246-518-2
- Nikkaji
- J286.417G
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 70.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 466
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
화학 및 산업
공급사1 곳
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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