기본 정보
- CAS
103829-56-7- 표준 SMILES
O=NNc1cnccn1- InChIKey
AUWFXUHWMBMPTI-UHFFFAOYSA-N- 분자식
- C4H4N4O
- 평균 분자량
- 124.1 g/mol
- 단동위원소 질량
- 124.03851076
개요
Pyrazine Diazohydroxide is a congener of pyridine 2-diazohydroxide. Pyrazine diazohydroxide forms DNA adducts via the reactive pyrazine diazonium ion, thereby inhibiting DNA synthesis. (NCI04)
이름 및 식별자
- 우선 이름
- Pyrazine-2-diazohydroxide
- IUPAC
- N-pyrazin-2-ylnitrous amide
이름 및 동의어
Pyrazine diazohydroxide103829-56-7Pyrazine-2-diazohydroxideNSC 361456NSC-361456M0610GT9KVNSC361456PZDH cpdPyrazineamine, N-nitroso-, sodium saltRefChem:870447Pyrazinamine, N-nitroso-, sodium saltN-Nitrosopyrazinamine
이름 더 보기
N-pyrazin-2-ylnitrous amide(E)-N-[(pyrazin-2-yl)imino]hydroxylamineN-(Pyrazin-2-yl)nitrous amidediazohydroxideN-Nitrosopyrazin-2-amine2-Pyrazine diazohydroxideNSC-374153Pyrazinamine, N-nitroso-
데이터베이스 식별자
- CAS
103829-56-7- PubChem CID
- 72766
- DTXSID
DTXSID50869407- ChEMBL
CHEMBL2008749- UNII
- M0610GT9KV
- Nikkaji
- J557.043C
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 67.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 96.6
실험 및 물리화학적 성질
Solubility
Water > 9.3 (mg/mL)
Buffer, pH 4 > 15.2 (mg/mL)
Buffer, pH 9 > 12.8 (mg/mL)
Ethanol 7.2 - 14.4 (mg/mL)
Dimethylacetamide > 17.4 (mg/mL)
DMSO > 18.7 (mg/mL)
Stability/Shelf Life
Bulk: The rate of degradation was variable, ranging from =14% at room temperature in light conditions to ~4% under dark conditions. At 50 °C under light conditions, degradation averaged ~4 %. There was no apparent degradation at 50 ° C in the dark. Solution: In reagent grade water, the t1/2 was calculated to be ~27.6 hr. In phosphate buffer at pH 7.32, tilt was found to be 91 min. In borate buffer at pH 8.98, tilt was found to be 53.8 hr.
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