3H-Pyrazol-3-one, 1,2-dihydro-4-((bis(2-chloroethyl)amino)methyl)-1,5-dimethyl-2-phenyl-, dihydrochloride
기본 정보
- CAS
59902-02-2- 표준 SMILES
Cc1c(CN(CCCl)CCCl)c(=O)n(-c2ccccc2)n1C.Cl.Cl- InChIKey
IXUKFCZJOMRONB-UHFFFAOYSA-N- 분자식
- C16H23Cl4N3O
- 평균 분자량
- 415.2 g/mol
- 단동위원소 질량
- 413.059523
이름 및 식별자
- 우선 이름
- 3H-Pyrazol-3-one, 1,2-dihydro-4-((bis(2-chloroethyl)amino)methyl)-1,5-dimethyl-2-phenyl-, dihydrochloride
- IUPAC
- 4-[bis(2-chloroethyl)aminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one;dihydrochloride
이름 및 동의어
3H-Pyrazol-3-one, 1,2-dihydro-4-((bis(2-chloroethyl)amino)methyl)-1,5-dimethyl-2-phenyl-, dihydrochlorideAntipyrine, 4-((bis(2-chloroethyl)amino)methyl)-, dihydrochloride59902-02-2DTXSID702086171,2-Dihydro-4-((bis(2-chloroethyl)amino)methyl)-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one 2HCl1-Phenyl-2,3-dimethyl-4-(bis(2-chloraethyl)aminomethyl)pyrazolon-(5)-dihydrochlorid [German]1-Phenyl-2,3-dimethyl-4-(bis(2-chloraethyl)aminomethyl)pyrazolon-(5)-dihydrochloridRefChem:283236DTXCID201311084-{[Bis(2-chloroethyl)amino]methyl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen chloride (1/2)
데이터베이스 식별자
- CAS
59902-02-2- PubChem CID
- 3042526
- DTXSID
DTXSID70208617
물성
구조 계산 물성
- 극성 표면적
- 26.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 416
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