기본 정보
- CAS
6402-08-0- 표준 SMILES
CC1=NN(c2ccc(N)cc2)C(=O)C1- InChIKey
VNXUPEPDMYVBQY-UHFFFAOYSA-N- 분자식
- C10H11N3O
- 평균 분자량
- 189.21 g/mol
- 단동위원소 질량
- 189.09021198
이름 및 식별자
- 우선 이름
- 2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
- IUPAC
- 2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one
- 영어명
- 2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
- 분자식
- C10H11N3O
- 분자량
- 189.21
이름 및 동의어
6402-08-02-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one1-(4-aminophenyl)-3-methyl-1H-pyrazol-5(4H)-one2-(4-Aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one2-Pyrazolin-5-one, 1-(p-aminophenyl)-3-methyl-5H4KVS3DR41-(4-aminophenyl)-3-methyl-2-pyrazolin-5-oneNSC-75621-(4-aminophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-oneEINECS 229-017-33H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-methyl-DTXSID00214004
이름 더 보기
2-(4-azanylphenyl)-5-methyl-4H-pyrazol-3-one2-(4-Aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-o2-(4-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one(SALTDATA: 2HCl)2-(4-aMinophenyl)-5-Methyl-2,4-dihydro-3H-pyrazol-3-one dihydrochloride (SALTDATA: 2HCl)
NSC 75622-(4-Amino-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one1-(4-aminophenyl)-3-methyl-5-pyrazolone1-P-AMINOPHENYL-3-METHYL-5-PYRAZOLONE[4-(4,5-Dihydro-3-methyl-5-oxopyrazol-1-yl)phenyl]amine(4-(4,5-DIHYDRO-3-METHYL-5-OXOPYRAZOL-1-YL)PHENYL)AMINERefChem:84335DTXCID60136495
데이터베이스 식별자
- CAS
6402-08-0- PubChem CID
- 80815
- DTXSID
DTXSID00214004- ChEMBL
CHEMBL1625482- UNII
- 5H4KVS3DR4
- EC Number
- 229-017-3
- Nikkaji
- J207.009J
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 58.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 267
물리화학적 성질
- 끓는 점
- 433 · 433.0±28.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.93 · 4.93±0.10(Predicted)
화학 및 산업
상·하류 제품 정보
하류 제품
공급사10 곳
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