기본 정보
- CAS
69103-22-6- 표준 SMILES
CC(=O)[O-].CCN(Cc1ccccc1)c1ccc(N=Nc2nc[n+](C)n2C)cc1- InChIKey
JBFXCVQBWYPFNE-UHFFFAOYSA-M- 분자식
- C21H26N6O2
- 평균 분자량
- 394.5 g/mol
- 단동위원소 질량
- 394.21172409
이름 및 식별자
- 우선 이름
- 1H-1,2,4-Triazolium, 5-(2-(4-(ethyl(phenylmethyl)amino)phenyl)diazenyl)-1,2-dimethyl-, acetate (1:1)
- IUPAC
- N-benzyl-4-[(1,2-dimethyl-1,2,4-triazol-1-ium-3-yl)diazenyl]-N-ethylaniline acetate
이름 및 동의어
69103-22-65-((4-(Ethyl(phenylmethyl)amino)phenyl)azo)-1,2-dimethyl-1H-1,2,4-triazolium acetate1H-1,2,4-Triazolium, 5-((4-(ethyl(phenylmethyl)amino)phenyl)azo)-1,2-dimethyl-, acetate1H-1,2,4-Triazolium, 5-(2-(4-(ethyl(phenylmethyl)amino)phenyl)diazenyl)-1,2-dimethyl-, acetate (1:1)1H-1,2,4-Triazolium, 5-[[4-[ethyl(phenylmethyl)amino]phenyl]azo]-1,2-dimethyl-, acetate1H-1,2,4-Triazolium, 5-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]-1,2-dimethyl-, acetate (1:1)RefChem:79645DTXSID50988829JBFXCVQBWYPFNE-UHFFFAOYSA-M(1Z,4Z)-N-Benzyl-4-[(1,2-dimethyl-1,2-dihydro-3H-1,2,4-triazol-3-ylidene)hydrazinylidene]-N-ethylcyclohexa-2,5-dien-1-iminium acetateN-Benzyl-4-[(1,2-dimethyl-1,2-dihydro-3H-1,2,4-triazol-3-ylidene)hydrazinylidene]-N-ethylcyclohexa-2,5-dien-1-iminium acetate
데이터베이스 식별자
- CAS
69103-22-6- PubChem CID
- 112238
- DTXSID
DTXSID50988829
물성
구조 계산 물성
- 극성 표면적
- 89.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 440
화학 및 산업
용도 및 제조
General Manufacturing Information1H-1,2,4-Triazolium, 5-[2-[4-[ethyl(phenylmethyl)amino]phenyl]diazenyl]-1,2-dimethyl-, acetate (1:1): INACTIVE
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