기본 정보
- 표준 SMILES
COc1ccc(N)nn1- InChIKey
YPWBPONDYDVMLX-UHFFFAOYSA-N- 분자식
- C5H7N3O
- 평균 분자량
- 125.13 g/mol
- 단동위원소 질량
- 125.05891186
이름 및 식별자
- 우선 이름
- 6-Methoxypyridazin-3-amine
- IUPAC
- 6-methoxypyridazin-3-amine
- 영어명
- 3-Amino-6-methoxypyridazine
- 분자식
- C5H7N3O
- 분자량
- 125.13
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
7252-84-8- PubChem CID
- 81673
- DTXSID
DTXSID00222846- UNII
- N3H9A46C5H
- EC Number
- 230-670-1
- Nikkaji
- J212.265K
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 61 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 88
물리화학적 성질
- 녹는점
- 108 · 108-109℃
- 끓는 점
- 353.5 · 353.5±22.0 °C(Predicted)
- 밀도
- 1.224 · 1.224
- 저장 조건
- 2 · 2-8°C(protect from light)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 5.84 · 5.84±0.10(Predicted)
- InChI
- InChI=1S/C5H7N3O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3,(H2,6,7)
- InChIKey
- YPWBPONDYDVMLX-UHFFFAOYSA-N
- SMILES
- C1(N)=NN=C(OC)C=C1
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
안전 데이터
- HS 번호
- 2933998090
- risk_code
- 22
- hazard_code
- Xi,Xn
화학 및 산업
응용 분야
개요3-amino-6-methoxypyridazine: a critical pharmaceutical intermediate.It can be used for pyridopyrimidine compounds with remarkable biological activity or medicines, such as the anticancer drug Ruugeli, which can be used for treating indications such as pain caused by endometriosis, uterine fibroids and advanced prostate cancer. At present, many reports on the preparation method of the compound exist, and various process impurities such as 3-amino-6-chloropyridazine, 3-amino-6-hydroxypyridazine, 3-chloro-6-hydroxypyridazine, 3-dichloropyridazine, 3, 6-dimethoxypyridazine, 3-amino-6-methoxypyridazine, 3-aminopyridazine and the like are often introduced in the process of the conventional synthesis process.
용도3-Amino-6-methoxypyridazine is an organic reagent that can be used as a key intermediate in the preparation of Relugoli.
상·하류 제품 정보
상류 원료
공급사50 곳
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